SCHEMBL6163969

SCHEMBL6163969

NCc1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
KMT2A Q03164 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
LOXL2 Q9Y4K0 1/20 0.64
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
FOLH1 Q04609 2/20 0.50
ROCK2 O75116 1/20 0.49
JMJD6 Q6NYC1 1/20 0.49

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
SCHEMBL8665150 0.89 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3LOXL2
SCHEMBL3674584 0.88 KMT2A (0.76) TDP1KMT2ASLC6A2SLC6A3LOXL2
SCHEMBL312910 0.88 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL2564611 0.87 RAB9A (0.72) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL14487915 0.87 KMT2A (0.73) TDP1KMT2ASLC6A2SLC6A3LOXL2
SCHEMBL15012759 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL13469247 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL318600 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
Hydrochloric Acid SCHEMBL4371608 0.85 KMT2A (0.71) TDP1KMT2ASLC6A2SLC6A3LOXL2
SCHEMBL28922549 0.85 LOXL2 (0.70) TDP1KMT2ASLC6A2SLC6A3LOXL2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
CN-112574255-A Organic arsine-based CDK inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2021-03-30 CN disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed