SCHEMBL27470748

SCHEMBL27470748

Cn1ccnc1-c1ccc(S)cc1Br.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
MC4R P32245 2/20 0.36
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
BDKRB2 P30411 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
LPO P22079 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL27821978 0.79 BRD4 (0.41) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL19029699 0.75 BRD4 (0.53) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL13360249 0.72 MC4R (0.46) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL8672845 0.72 BRD4 (0.40) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL31039260 0.70 BRD4 (0.41) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL13878871 0.68 BRD4 (0.39) BRD4MC4RHTR2CHTR2AKDM4E
SCHEMBL31485961 0.67 MYC (0.42) BRD4MC4RHTR2CHTR2ACDK8
SCHEMBL15011218 0.67 SCN9A (0.41) BRD4MC4RKDM4ENPC1RAB9A
SCHEMBL16656630 0.67 MC4R (0.40) BRD4MC4RHTR2CHTR2ACCNC
SCHEMBL28343831 0.67 MC4R (0.53) BRD4MC4RHTR2CHTR2AKDM4E

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-1149874-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS INC (US) 1997-05-14 CN disclosed