SCHEMBL5224101

SCHEMBL5224101

COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C3CCNCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.66
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
P2RY14 Q15391 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
SCHEMBL5225621 0.85 F10 (0.66) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL4639850 0.85 P2RY14 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4639732 0.82 HDAC3 (0.47) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL30864182 0.81 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2828468 0.81 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5225659 0.81 CHRM3 (0.60) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL6920605 0.81
Hydrochloric Acid SCHEMBL8479612 0.80 HSP90AB1 (0.60) F10HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1991534 0.80
SCHEMBL7252219 0.79 FGFR1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed