SCHEMBL4654937

SCHEMBL4654937

[NH]C(=O)c1cnccc1NN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TDP1 Q9NUW8 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43
KDM4C Q9H3R0 8/20 0.41
KDM4E B2RXH2 3/20 0.40
KDM6B O15054 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4D Q6B0I6 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19611328 0.82 KDM4C (0.55) CA12CA1CA2CA9CA14
SCHEMBL188821 0.82 KDM4C (0.55) CA12CA1CA2CA9CA14
SCHEMBL662028 0.82 SIRT3 (0.58) CA12CA1CA2CA9CA14
SCHEMBL9142180 0.81 SIRT3 (0.56) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL7084808 0.81 SIRT3 (0.56) CA12CA1CA2CA9CA14
Acetone SCHEMBL5667714 0.78 SIRT3 (0.58) CA12CA1CA2CA9CA14
Acetone SCHEMBL2032550 0.78 KDM4C (0.54) CA12CA1CA2CA9CA14
Acetone SCHEMBL15923153 0.77 KDM4C (0.53) CA12CA1CA2CA9CA14
SCHEMBL8067971 0.76 KDM4E (0.52) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL12830011 0.73 KDM4C (0.68) TDP1KDM4CKDM4EKDM6BALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364690-A Novel radiolabeled CXCR4 targeting compounds for diagnosis and therapy 省卫生服务机构 2022-04-15 CN disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 US disclosed
EP-1423152-A4 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-12-27 EP disclosed
US-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-7090828-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-08-15 US disclosed
US-7052673-B2 Pharmaceuticals for the imaging of angiogenic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US disclosed
WO-2001097861-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 US disclosed
EP-1140204-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
EP-1140864-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
EP-1068224-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
WO-2000035492-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-2000035887-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARM CO (US) 2000-06-22 WO disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
WO-1999058162-A2 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-11-18 WO disclosed