SCHEMBL5988030

SCHEMBL5988030

Cc1cc(CO)sc1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12763605 0.82 KDM4E (0.33) CYP2A6USP2MAPTALOX15KMT2A
SCHEMBL5987946 0.80 MME (0.32) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28656057 0.78 CYP2A6 (0.34) CYP2A6MEN1MAPTKMT2AALDH1A1
SCHEMBL27549615 0.77 KDM4E (0.30) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25363789 0.72 CYP2A6 (0.33) CYP2A6
SCHEMBL3969844 0.72 KDM4E (0.34) MEN1USP2POLBMAPTALOX15
SCHEMBL14986261 0.72
SCHEMBL11246897 0.72
SCHEMBL22624589 0.70 KDM4E (0.32) POLBKDM4EALDH1A1HPGD
SCHEMBL3146634 0.70 KDM4E (0.34) KDM4EALDH1A1HPGDSMN1; SMN2

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 13 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
CN-1355810-A Prodrugs of thrombin inhibitors BASF AG (DE) 2002-06-26 CN disclosed
CN-1351609-A Low molecular weight complement protease inhibitors BASF AG (DE) 2002-05-29 CN 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
CN-1289341-A Thrombin inhibitors BASF AG (DE) 2001-03-28 CN 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