SCHEMBL10375355

SCHEMBL10375355

CC(=O)c1c(C)nc(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCB1 P08183 1/20 0.45
F12 P00748 1/20 0.45
NQO2 P16083 1/20 0.44

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
SCHEMBL10377541 0.92 NPC1 (0.50) ALDH1A1PKMKMT2ANPC1RAB9A
SCHEMBL10377358 0.92 NPC1 (0.50) ALDH1A1PKMKMT2ANPC1RAB9A
SCHEMBL10376552 0.89 NPC1 (0.48) ALDH1A1PKMKMT2AKDM4ENPC1
SCHEMBL10375299 0.88 KMT2A (0.54) ALDH1A1PKMKMT2AKDM4ENPC1
SCHEMBL10375282 0.87 ALDH1A1 (0.55) ALDH1A1PKMKMT2ANPC1RAB9A
SCHEMBL10377424 0.85 KDM4E (0.57) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL10375543 0.85 NPC1 (0.52) ALDH1A1PKMNPC1RAB9AABCG2
SCHEMBL10754019 0.85 POLB (0.44) ALDH1A1PKMKMT2ANPC1RAB9A
SCHEMBL10376722 0.84 ALDH1A1 (0.44) ALDH1A1PKMKMT2ANPC1RAB9A
SCHEMBL10377412 0.84 ALDH1A1 (0.46) ALDH1A1PKMKMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
EP-0177287-B1 PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-05 EP disclosed
US-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 EP disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed