SCHEMBL6182324

SCHEMBL6182324

NCCn1cnc(Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.40
TLR8 Q9NR97 1/20 0.38
CPB2 Q96IY4 7/20 0.37
CPB1 P15086 4/20 0.37
HTR2A P28223 1/20 0.37
KCNMA1 Q12791 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTOR P42345 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CALM1 P0DP23 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL30741761 0.81 HPGDS (0.50) CPB2KCNMA1CYP2C9CYP2C19SIGMAR1
SCHEMBL6616681 0.80 LTA4H (0.38) LTA4HTLR8CPB2CPB1KCNMA1
SCHEMBL16691794 0.75 CALM1 (0.41) LTA4HTLR8KCNMA1CALM1ADORA2A
SCHEMBL22783610 0.74 CYP2C9 (0.62) CPB2CPB1HTR2ACYP2C9TSHR
SCHEMBL6952807 0.74 SIGMAR1 (0.45) KCNMA1CYP2C9CYP2C19SIGMAR1
SCHEMBL27548657 0.73 CYP2C9 (0.47) CPB2HTR2ACYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL9803226 0.73 TDP1 (0.63) CPB2CPB1HTR2ACYP2C9TSHR
SCHEMBL1569033 0.73 CYP2C9 (0.46) CPB2CPB1CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7878223 0.72 TDP1 (0.49) CPB2HTR2ACYP2C9TSHRCYP2C19
SCHEMBL6973877 0.72 CYP3A4 (0.45) LTA4HCPB2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450164-B Geldanamycin derivatives as well as preparation methods and uses thereof 杭州华东医药集团生物工程研究所有限公司 2017-02-01 CN disclosed
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
CN-1181069-C Novel inhibitors of farnesyl-protein transferase ���鹫˾ 2004-12-22 CN disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
CN-1346355-A Novel inhibitors of farnesyl-protein transferase SCHERING CORP (US) 2002-04-24 CN disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed