SCHEMBL8336344

SCHEMBL8336344

O=C(O)c1ccc(-c2nc(Cl)c3cc([N+](=O)[O-])sc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CASP6 P55212 1/20 0.35
SRD5A2 P31213 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
SCHEMBL8178691 0.86 MAPT (0.40) MEN1KMT2APOLBKDM4ENPC1
SCHEMBL5120176 0.84 MAPT (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8338912 0.82 RXRA (0.41) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL8334672 0.80 RARA (0.41) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL8179818 0.78 FYN (0.44) MEN1KMT2APOLBCTDSP1KDM4E
SCHEMBL5119695 0.77 CYP2A6 (0.50) KMT2APOLBKDM4ENPC1RAB9A
SCHEMBL8335829 0.77 RXRA (0.40) MEN1KMT2APOLBTDP1KDM4E
SCHEMBL8338691 0.77 SELE (0.45) MEN1KMT2AKDM4EALDH1A1RXRA
SCHEMBL8185712 0.76 PDE5A (0.47) MEN1KMT2APOLBCTDSP1KDM4E
SCHEMBL8340672 0.75 BRD4 (0.46) NPC1RAB9ASMN1; SMN2HPGDRXRA

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-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed