SCHEMBL29401802

SCHEMBL29401802

c1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
PRCP P42785 1/20 0.50
KDR P35968 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ANPEP P15144 2/20 0.46
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR7 P34969 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2B P41595 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42

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
SCHEMBL29809707 1.00 PNMT (0.53) PNMTPRCPKDRADORA2AADORA1
SCHEMBL70992 1.00 PNMT (0.53) PNMTPRCPKDRADORA2AADORA1
Bromide SCHEMBL15404509 0.98 PNMT (0.52) PNMTPRCPKDRADORA2AADORA1
SCHEMBL27718430 0.98 PNMT (0.52) PNMTPRCPKDRADORA2AADORA1
Water SCHEMBL27894037 0.96 PNMT (0.50) PNMTPRCPKDRADORA2AADORA1
SCHEMBL28928665 0.96 PNMT (0.50) PNMTPRCPKDRADORA2AADORA1
SCHEMBL2594421 0.94 PNMT (0.52) PNMTPRCPKDRADORA2AADORA1
SCHEMBL31413938 0.94 PNMT (0.52) PNMTPRCPKDRADORA2AADORA1
Boric Acid SCHEMBL28830312 0.92 PNMT (0.47) PNMTPRCPKDRADORA2AADORA1
Alcohol SCHEMBL27687637 0.91 PNMT (0.50) PNMTPRCPKDRADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109143781-B Composition for hard mask and pattern forming method 东友精细化工有限公司 2022-03-04 CN disclosed