SCHEMBL6264205

SCHEMBL6264205

COc1ccc(C(N)=O)cc1NC(=O)c1nc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)sc1N1CSC=C1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
CDK5 Q00535 1/20 0.37

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
SCHEMBL5262635 0.81 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL5227563 0.81 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL5262638 0.80 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL5231104 0.78 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5262632 0.74 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL5231099 0.67 MEN1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6264209 0.67 CDK5 (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14432776 0.66 TP53 (0.47) ALDH1A1L3MBTL1CYP1A2LMNAPOLB
SCHEMBL14432801 0.64 CYP1A2 (0.41) MAPTL3MBTL1CYP1A2LMNAKMT2A
SCHEMBL5232381 0.63 CCR5 (0.40) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581528-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS Metris Therapeutics Limited (GB) 2005-10-05 EP disclosed
WO-2004058751-A1 PIPERIDINYL-THIAZOLE CARBOXAMIDE DERIVATIVES FOR ALTERING VASCULAR TONE METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 WO disclosed
WO-2004058750-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 WO disclosed