SCHEMBL18615547

SCHEMBL18615547

N#Cc1ccc(Oc2cccc(NSNc3cccc(Oc4ccc(C#N)cc4)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
IL18 Q14116 1/20 0.46
PGR P06401 1/20 0.43
SLK Q9H2G2 2/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
PDE4A P27815 2/20 0.39

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
SCHEMBL8549960 0.83 MEN1 (0.47) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL28662441 0.81 PGR (0.49) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL10927383 0.81 CYP19A1 (0.59) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL20357557 0.79 MAPT (0.57) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL18615548 0.79 MEN1 (0.44) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL28558177 0.77 ALDH1A1 (0.53) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL28770468 0.76 CYP19A1 (0.54) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL7073983 0.76 CYP19A1 (0.54) MEN1MAPTKMT2ACYP19A1KDM4E
SCHEMBL11645604 0.75 MAPK1 (0.56) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL10923033 0.74 PDE4A (0.55) MEN1MAPTKMT2ACYP19A1PGR

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-2017036405-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY 陈昆锋 2017-03-09 WO disclosed