SCHEMBL27937795

SCHEMBL27937795

CCCCCCc1ccc(NC)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 4/20 0.42
EP300 Q09472 1/20 0.41
CYP3A4 P08684 2/20 0.40
TYR P14679 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28805669 1.00 LIPG (0.45) LIPGIDO1MAPTEP300CYP3A4
SCHEMBL27919116 0.93 IDO1 (0.47) LIPGIDO1EP300CYP3A4TYR
SCHEMBL27919218 0.90 LIPG (0.45) LIPGMAPTEP300ALOX5KCNH2
SCHEMBL20922041 0.90 LIPG (0.45) LIPGMAPTEP300ALOX5KCNH2
SCHEMBL10129010 0.86 IDO1 (0.50) IDO1MEN1KMT2AKDM4EUSP2
SCHEMBL11779245 0.86 LIPG (0.57) LIPGMAPTCYP3A4TYRMEN1
SCHEMBL30537736 0.86 LIPG (0.57) LIPGMAPTCYP3A4TYRMEN1
SCHEMBL28561719 0.85 LIPG (0.44) LIPGMAPTEP300CYP3A4TYR
SCHEMBL28575472 0.85 LIPG (0.44) LIPGMAPTEP300CYP3A4TYR
SCHEMBL28271825 0.85 LIPG (0.44) LIPGMAPTEP300CYP3A4TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed