SCHEMBL6926322

SCHEMBL6926322

C1=C(c2ccccc2)Cc2c1cccc2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
ANPEP P15144 2/20 0.40
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6924821 0.83 HTR7 (0.39) CYP11B1CYP11B2HTR1AHTR7ALDH1A1
SCHEMBL2973787 0.79 TRPA1 (0.41) PARP10PARP11ANPEPIL1RNERAP2
SCHEMBL6927941 0.79 CYP2A6 (0.38) CYP11B1CYP11B2CYP2A6
SCHEMBL16393552 0.79 ALDH1A1 (0.42) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL3154256 0.79 PDCD1 (0.38) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL7616904 0.79 PRCP (0.35) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL6662149 0.75 HTR1A (0.36) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL16393922 0.73 PDCD1 (0.36) PRCPPARP10PARP11HTR1AHTR7
SCHEMBL6230549 0.73 HTR1A (0.37) PRCPPARP10PARP11HTR1AHTR7
SCHEMBL27622030 0.72 PRCP (0.44) PRCPPARP10PARP11ANPEPIL1RN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027314-A4 COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS BOULDER SCIENT CO (US) 2003-03-19 EP disclosed
US-6465700-B1 E.G., 2-METHYL-7-CHLOROINDENE. BOULDER SCIENTIFIC COMPANY 2002-10-15 US disclosed
EP-1027314-A1 COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS BOULDER SCIENTIFIC COMPANY (US) 2000-08-16 EP disclosed
WO-2000007968-A1 COUPLING REACTIONS OF 2-SUBSTITUTED, 7-HALOINDENES WITH ARYL SUBSTITUENTS TO PRODUCE METALLOCENE CATALYST LIGANDS BOULDER SCIENTIFIC COMPANY (US) 2000-02-17 WO disclosed