SCHEMBL7140320

SCHEMBL7140320

Cc1c(Cl)nc(NN)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PRSS1 P07477 1/20 0.47
TPSAB1 Q15661 11/20 0.46
PLAU P00749 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3247707 0.86 F2 (0.60) F2F7F3PRSS1TPSAB1
SCHEMBL3240576 0.86 MEN1 (0.44) PLAUMEN1KMT2A
SCHEMBL3247710 0.84 P2RX7 (0.43) F2F7F3PRSS1TPSAB1
SCHEMBL7141645 0.84 HSD17B10 (0.43) F2F7F3PRSS1TPSAB1
SCHEMBL5885589 0.83 F2 (0.59) F2F7F3PRSS1TPSAB1
SCHEMBL8205180 0.82 TPSAB1 (0.52) F2F7F3PRSS1TPSAB1
SCHEMBL7020342 0.82 F2 (0.40) F2F7F3PRSS1TPSAB1
SCHEMBL7912621 0.82 TPSAB1 (0.61) F2F7F3PRSS1TPSAB1
SCHEMBL7403728 0.82 TPSAB1 (0.49) F2F7F3PRSS1TPSAB1
SCHEMBL7456341 0.82 TPSAB1 (0.48) F2F7F3PRSS1TPSAB1

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
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
WO-2001079193-A2 SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed