SCHEMBL19986612

SCHEMBL19986612

Cc1ccc(NC(=O)NCC(C)CNc2c(C)cncc2C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
NAMPT P43490 2/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.43
CASR P41180 1/20 0.43
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GBA1 P04062 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL19986715 0.85 KMT2A (0.41) KDM4ENAMPTMAPTMEN1KMT2A
SCHEMBL19986692 0.81 NAMPT (0.38) RAB9AKDM4ENAMPTMAPTMEN1
SCHEMBL19986721 0.79 RAB9A (0.45) RAB9AKDM4ECCNCCDK8NAMPT
SCHEMBL19986611 0.78 LMNA (0.50) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL19986510 0.75 LMNA (0.65) RAB9AKDM4ETSHRALDH1A1MAPT
SCHEMBL19986509 0.74 BLM (0.43) RAB9AKDM4ECCNCCDK8NAMPT
SCHEMBL19986446 0.72 KMT2A (0.49) RAB9AKDM4ENAMPTALDH1A1MAPT
SCHEMBL19986554 0.72 MEN1 (0.47) NAMPTRECQLALDH1A1MAPTMEN1
SCHEMBL19986717 0.72 MEN1 (0.44) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL26463986 0.70 ALDH1A1 (0.62) RAB9ACCNCCDK8NAMPTTSHR

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-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed