SCHEMBL6087616

SCHEMBL6087616

CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2ccc3ccccc3n2)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
BRD4 O60885 1/20 0.36
RPA1 P27694 1/20 0.36
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
CYP1A2 P05177 1/20 0.35
AKR1B1 P15121 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
ALOX5AP P20292 3/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7850310 0.93 PDE10A (0.35) PDE10APTGDR2BRD4RPA1PTGIR
SCHEMBL6088424 0.87 CYP1A2 (0.38) PDE10APTGDR2BRD4CYP1A2AKR1B1
SCHEMBL6085740 0.83 KMT2A (0.34) CYP3A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL6097406 0.83 ACKR3 (0.38) MEN1KMT2AKDM4EFAAHTDP1
SCHEMBL6086631 0.83 GRIN1 (0.45) PTGDR2KMT2A
SCHEMBL6087879 0.83 DAO (0.45) PDE10APTGDR2CYP1A2CYP3A4MEN1
SCHEMBL6087483 0.82 MEN1 (0.43) BRD4CYP3A4MEN1KMT2AKDM4E
SCHEMBL6088668 0.82 POLB (0.35) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL6086262 0.81 TP53 (0.39) RPA1AKR1B1MEN1KMT2ANPC1
SCHEMBL7853459 0.81 CYP1A2 (0.34) PDE10APTGDR2BRD4CYP1A2AKR1B1

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed