SCHEMBL8178013

SCHEMBL8178013

O=C(O)c1ccc(-c2nc(NCc3ccc(Cl)c(Cl)c3)c3cc(Cl)sc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
HSD17B10 Q99714 3/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
HIF1A Q16665 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8184850 0.90 FYN (0.47) FYNUSP1WDR48HSD17B10EPHX2
SCHEMBL8180648 0.89 CLK4 (0.42) FYNUSP1WDR48HSD17B10MEN1
SCHEMBL8178180 0.89 LMNA (0.48) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8177243 0.89 MEN1 (0.47) HSD17B10MEN1KMT2AKDM4ECYP1A2
SCHEMBL8171209 0.89 CYP1A2 (0.53) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8184863 0.88 PRKCI (0.48) FYNUSP1WDR48HSD17B10EPHX2
SCHEMBL8183027 0.88 USP1 (0.48) FYNUSP1WDR48HSD17B10EPHX2
SCHEMBL8179818 0.87 FYN (0.44) FYNUSP1WDR48HSD17B10EPHX2
SCHEMBL8178327 0.85 MEN1 (0.55) HSD17B10MEN1KMT2AKDM4ECYP1A2
SCHEMBL5128113 0.85 PRKCI (0.47) USP1WDR48PDE5ARPS6KB1CLK4

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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed