SCHEMBL8323937

SCHEMBL8323937

Cc1cccc2[nH]c(CN(C)C(=O)OCc3ccccc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 1/20 0.41
CHEK1 O14757 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
ALKBH3 Q96Q83 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CACNA1H O95180 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6951174 0.82 PRMT5 (0.46) ITGB3ITGAVTDP1ALDH1A1KMT2A
SCHEMBL6943657 0.81 CACNA1G (0.57) ITGB3ITGAVTDP1ALDH1A1CHEK1
SCHEMBL8324887 0.80 CHRNB2 (0.41) ALDH1A1MMP2MMP9KMT2ANPC1
SCHEMBL6945050 0.80 ITGB3 (0.47) ITGB3ITGAVTDP1ALDH1A1GRIN2B
SCHEMBL8326056 0.78 PTGDR2 (0.45) ITGB3ITGAVKMT2A
SCHEMBL8329019 0.77 ITGB3 (0.45) ITGB3ITGAVTDP1LMNAKMT2A
SCHEMBL7330117 0.76 RXFP1 (0.50) ITGB3ITGAVTDP1ALDH1A1KMT2A
SCHEMBL2313323 0.75 CACNA1H (0.46) LMNAKMT2APARP1CACNA1H
SCHEMBL856557 0.74 ALDH1A1 (0.52) TDP1ALDH1A1LMNAKMT2A
SCHEMBL6951310 0.74 ITGB3 (0.48) ITGB3ITGAVALDH1A1KMT2AKDM4E

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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed