SCHEMBL5987300

SCHEMBL5987300

Cc1c(C#N)csc1CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
TSHR P16473 1/20 0.30
DAO P14920 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL5988699 0.80 TSHR (0.30) TSHRCYP2A6
SCHEMBL5988110 0.76 CYP2A6 (0.37) DAOCYP2A6
SCHEMBL29870909 0.72
SCHEMBL321000 0.70
SCHEMBL16572130 0.70 TSHR (0.34) TSHRDAOCYP2A6
SCHEMBL19839151 0.70 CYP2A6 (0.39) CYP2A6
SCHEMBL27502465 0.68
SCHEMBL29096981 0.68
SCHEMBL18430438 0.68 NPSR1 (0.43) MAPK8MAPK9MAPK10
SCHEMBL7426785 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144902-B1 Prodrugs of thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2006-12-05 US disclosed
EP-1169338-B1 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES ABBOTT GMBH & CO KG (DE) 2004-11-03 EP disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1169338-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
EP-1165601-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
WO-2000061609-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed
WO-2000061608-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed