SCHEMBL10375282

SCHEMBL10375282

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.49
ABCG2 Q9UNQ0 5/20 0.48
ABCC1 P33527 1/20 0.48
SLC6A4 P31645 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.44
PDE5A O76074 1/20 0.43

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
SCHEMBL10375532 0.92 KMT2A (0.51) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10377424 0.89 KDM4E (0.57) ALDH1A1MEN1KMT2ASLC6A4NPC1
SCHEMBL10377358 0.89 NPC1 (0.50) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10377541 0.89 NPC1 (0.50) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10754019 0.88 POLB (0.44) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10375355 0.87 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10376604 0.86 KDM4E (0.46) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10376552 0.86 NPC1 (0.48) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10376599 0.86 MEN1 (0.49) ALDH1A1MEN1KMT2APOLBABCG2
SCHEMBL10375265 0.86 KMT2A (0.46) ALDH1A1MEN1KMT2AABCG2ABCC1

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