SCHEMBL6876016

SCHEMBL6876016

Cc1ccc(S(=O)(=O)N[C@@H](Cn2cnc3c(N4CCC(C(=O)O)CC4)ncnc32)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.37
KIT P10721 1/20 0.37
CYP2C9 P11712 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL27475140 1.00 MMP13 (0.40) MMP13KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6884268 0.89 MAPT (0.35) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6884349 0.85 ITGB3 (0.37) MMP13KMT2AALDH1A1MAPTCYP2C9
SCHEMBL6884541 0.85 KMT2A (0.34) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27475141 0.85 KMT2A (0.34) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27551534 0.84 SIRT2 (0.32) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4640097 0.80 TDP1 (0.36) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27474218 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4640715 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL27524220 0.79 ITGB3 (0.46) ITGB3ITGA2B

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
CN-1171888-C Substituted purine derivatives, preparation method and application ���ĵ�˹ҩƷ�¹��ɷ����޹�˾ 2004-10-20 CN disclosed
US-6747016-B1 TREATING OSTEOPOROSIS IN WARM-BLOODED ANIMALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-08 US disclosed
EP-1196416-B1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2004-03-24 EP disclosed
CN-1371376-A substituted purine derivatives as cell adhesion inhibitors AVENTIS PHARMA GMBH (DE) 2002-09-25 CN disclosed
EP-1196416-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-04-17 EP disclosed
WO-2001002399-A1 SUBSTITUTED PURINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-11 WO disclosed
EP-1065208-A1 Substituted purine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-01-03 EP disclosed