SCHEMBL7010358

SCHEMBL7010358

CCn1c(SC)nc2[nH]ncc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPK10 P53779 1/20 0.42
HTT P42858 4/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A3 P47895 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL7011874 0.78 SMN1; SMN2 (0.41) TP53LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL7018141 0.77 MAPK1 (0.40) LMNASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL7016967 0.72 TP53 (0.58) TP53LMNASMN1; SMN2THRBMAPT
SCHEMBL21271713 0.70 TP53 (0.67) TP53LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5712367 0.66 ALDH1A1 (0.46) LMNASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL7010831 0.66 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL4074953 0.64 PDE4A (0.56) MAPTTDP1
SCHEMBL10332535 0.64 MAPK1 (0.44) LMNASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL10332278 0.64 ALDH1A1 (0.46) LMNASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL7015456 0.63 ALDH1A1 (0.38) TP53LMNASMN1; SMN2MAPTALDH1A1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229910-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-10-01 EP claimed
EP-1044001-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-29 EP claimed
EP-1229910-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-08-14 EP claimed
EP-1100506-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-06-26 EP claimed
JP-2001524079-A 2001-11-27 JP claimed
EP-1105389-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-10-17 EP claimed
EP-1105389-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-06-13 EP claimed
EP-1100506-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-05-23 EP claimed
WO-2001024797-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-04-12 WO claimed
EP-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP claimed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP claimed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP claimed
WO-1998046220-A1 COMBINATION THERAPY FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS MERCK & CO., INC. (US) 1998-10-22 WO claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP claimed
WO-1998018461-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO claimed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO claimed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 WO claimed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO claimed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO claimed