SCHEMBL28095051

SCHEMBL28095051

CCn1c(F)nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
RPS6KA5 O75582 1/20 0.40
SOS1 Q07889 1/20 0.39
NPM1 P06748 2/20 0.38
ALK Q9UM73 2/20 0.38
PDE2A O00408 1/20 0.37
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
ACSS2 Q9NR19 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21803208 0.81 KDM4E (0.51) CYP11B1CYP11B2MAPTCYP1A2HTT
SCHEMBL2016383 0.78 PPARG (0.40) CYP11B1CYP11B2NPM1ALKMAPT
SCHEMBL2013679 0.78 PPARG (0.45) PPARGHTTACSS2MEN1KMT2A
SCHEMBL12210156 0.76 MEN1 (0.44) NPM1ALKMAPTPPARGCYP1A2
SCHEMBL28326451 0.75 HTT (0.62) MAPTCYP1A2CYP2D6HTTMEN1
SCHEMBL22031586 0.75 GLA (0.49) PPARGMEN1KMT2AKDM4E
SCHEMBL15112162 0.75 MCHR1 (0.45) ACSS2
SCHEMBL25149332 0.73 CDK9 (0.47) SOS1NPM1ALKPDE2AMAPT
SCHEMBL31113507 0.73 CDK9 (0.47) SOS1NPM1ALKPDE2AMAPT
SCHEMBL22031600 0.73 CACNA2D1 (0.44) PPARGACSS2

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-103739605-B For detecting the developer of neurological disorder 伊莱利利公司 2016-08-17 CN disclosed