SCHEMBL10375293

SCHEMBL10375293

CSc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2)nc(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
ABCG2 Q9UNQ0 7/20 0.40
ABCC1 P33527 2/20 0.40
ABCB1 P08183 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10375295 1.00 KMT2A (0.43) KMT2AMEN1NPC1RAB9APAX8
SCHEMBL10375262 0.90 KMT2A (0.41) KMT2AMEN1NPC1RAB9APAX8
SCHEMBL10375515 0.88 KDM4E (0.50) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL10375294 0.87 KMT2A (0.48) KMT2AMEN1NPC1RAB9APAX8
SCHEMBL10376596 0.84 MAPT (0.41) KMT2AMEN1NPC1RAB9APAX8
SCHEMBL10377358 0.81 NPC1 (0.50) KMT2AMEN1NPC1RAB9AABCG2
SCHEMBL10377541 0.81 NPC1 (0.50) KMT2AMEN1NPC1RAB9AABCG2
SCHEMBL10376659 0.81 KMT2A (0.51) KMT2AMEN1NPC1RAB9AABCG2
SCHEMBL10375306 0.79 CACNA1C (0.42) KMT2AMEN1RAB9AABCG2MAPT
SCHEMBL10867553 0.79 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4EGAA

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US 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