SCHEMBL22201436

SCHEMBL22201436

Clc1nc(-c2ccncc2)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 1/20 0.52
PRKCE Q02156 1/20 0.52
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
AR P10275 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
DHODH Q02127 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 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
SCHEMBL786133 0.87 MEN1 (0.55) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL31388225 0.87 MEN1 (0.55) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL3325621 0.82 PRKCD (0.52) PRKCHPRKCECYP1A2
SCHEMBL14727429 0.81 CYP11B1 (0.57) ALDH1A1KDM4ECYP2C9CYP3A4CYP1A2
SCHEMBL4767456 0.81 AGTR1 (0.45) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL7258823 0.81 CYP19A1 (0.47) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4766591 0.80 TOP1 (0.44) MAPTCYP2C9CYP3A4NPC1CYP1A2
SCHEMBL7259697 0.79 TNF (0.47) MAPK1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8295491 0.79 PRKCH (0.52) PRKCHPRKCEMAPK1ALDH1A1KDM4E
SCHEMBL22201437 0.78 PRKCH (0.56) PRKCHPRKCEMAPK1ALDH1A1KDM4E

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed