SCHEMBL7332467

SCHEMBL7332467

CCc1ccc(C#N)c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
MIF P14174 1/20 0.34
CA9 Q16790 1/20 0.34
UPP1 Q16831 1/20 0.33
CYP2A6 P11509 1/20 0.33
USP7 Q93009 2/20 0.33
GLA P06280 1/20 0.33
AR P10275 1/20 0.33
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL7215435 0.78 L3MBTL1 (0.39) PARP1TSHRMAPK1KDM4EALDH1A1
SCHEMBL10271764 0.78 MBOAT4 (0.39) PARP1TSHRMAPK1KDM4EALDH1A1
SCHEMBL2394294 0.78 MBOAT4 (0.45) TSHRMAPK1KDM4EALDH1A1MAPT
SCHEMBL30164142 0.78 MBOAT4 (0.45) TSHRMAPK1KDM4EALDH1A1MAPT
SCHEMBL10161673 0.76 KDM4E (0.42) PARP1TSHRMAPK1KDM4EALDH1A1
SCHEMBL7239422 0.75 NPC1 (0.35) HPGD
SCHEMBL1145328 0.75 HRH4 (0.42) TSHRKDM4EALDH1A1MEN1KMT2A
Water SCHEMBL28237534 0.74 UPP1 (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1048225 0.74 UPP1 (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL16224793 0.73 KDM4E (0.53) TSHRMAPK1KDM4EALDH1A1MEN1

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
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
CN-1169730-A Aromatic heterocyclic derivatives as enzyme inhibitors CORVAS INT INC (US) 1998-01-07 CN disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed