SCHEMBL6962206

SCHEMBL6962206

Cc1ccc(C(=O)OCc2nc(Nc3ccc(F)cc3)nc(N3CCc4ccccc4C3C)c2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL6963603 0.95 KCNH3 (0.36) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL6958530 0.92 TNF (0.38) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL6958401 0.91 UBE2B (0.43) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL6955503 0.91 MAPT (0.35) MAPTRAB9AKMT2ANPC1OPRM1
SCHEMBL6967711 0.90 TRPC3 (0.37) MEN1KMT2AKDM4ETSHRMAPK1
SCHEMBL6957788 0.89 TRPM8 (0.37) MEN1KMT2ANPSR1JAK2JAK1
SCHEMBL6967410 0.88 KCNH3 (0.34) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6967941 0.88 TRPC3 (0.34) MEN1KMT2AKDM4ETSHRMAPK1
SCHEMBL6958921 0.88 DRD1 (0.36) MAPTKMT2AKDM4ENPSR1TP53
SCHEMBL6968472 0.88 NPSR1 (0.34) MEN1KMT2AALDH1A1HSD17B10THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed