SCHEMBL7861729

SCHEMBL7861729

Cc1oc(C(=O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GPR35 Q9HC97 2/20 0.38
USP2 O75604 1/20 0.38
CSNK2A2 P19784 1/20 0.38
PTGS1 P23219 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
MYC P01106 1/20 0.38
PDE10A Q9Y233 1/20 0.38
EDNRA P25101 1/20 0.38
CYP2C19 P33261 1/20 0.38
EYA3 Q99504 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11657879 0.84 CYP1A2 (0.48) MCL1L3MBTL1KDM4EHPGDNPC1
SCHEMBL114253 0.83 GAA (0.47) MCL1L3MBTL1KDM4EHPGDRAB9A
SCHEMBL2790486 0.82 KDM4E (0.41) L3MBTL1KDM4EHPGDRAB9ANPC1
SCHEMBL27917704 0.79 KDM4E (0.40) L3MBTL1KDM4EHPGDNPC1CYP2C19
SCHEMBL9399721 0.79 SMN1; SMN2 (0.38) MCL1L3MBTL1KDM4EHPGDRAB9A
SCHEMBL10371768 0.75 MAPT (0.43) MCL1L3MBTL1KDM4EHPGDRAB9A
SCHEMBL9219899 0.74 MCL1 (0.49) MCL1L3MBTL1KDM4EHPGDRAB9A
SCHEMBL9219756 0.74 TP53 (0.51) MCL1L3MBTL1KDM4EHPGDRAB9A
SCHEMBL2607276 0.74 CYP1A2 (0.47) KDM4EHPGDCYP2C19EYA3ALDH1A1
SCHEMBL9216798 0.73 KDM4E (0.47) MCL1L3MBTL1KDM4EHPGDRAB9A

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
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 CN disclosed
CN-1117090-C N-acyl-2-substituted-4-(benzimidazolyl-or imidazopyridinyl-substituted pesidues)-piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2003-08-06 CN disclosed
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed
CN-1049434-C Aromatic amidine derivatives and pharmaceutically acceptable salts thereof DAIICHI SEIYAKU CO (JP) 2000-02-16 CN disclosed
CN-1206414-A N-acyl-2-substituted-4- (benzimidazolyl-or imidazopyridinyl-substituted residues) piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 CN disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 EP disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN disclosed