SCHEMBL9872606

SCHEMBL9872606

Cc1nc(-c2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ELANE P08246 1/20 0.53
MCL1 Q07820 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.48
CCR6 P51684 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
PSD A5PKW4 1/20 0.47
VCP P55072 1/20 0.46
LTB4R Q15722 1/20 0.46
AR P10275 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9874282 0.89 MAPT (0.55) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9874545 0.86 PRKCZ (0.54) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8878224 0.81 MAPT (0.51) MAPTALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL10377726 0.77 ALDH1A1 (0.56) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
Fumaric Acid SCHEMBL9874809 0.77 TMEM97 (0.43) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL10376659 0.77 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
Pyridine SCHEMBL8878037 0.76 MAPT (0.46) MAPTALDH1A1GAAKDM4E
SCHEMBL6781590 0.76 PTGDR2 (0.52) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL28489642 0.76 MEN1 (0.60) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6731942 0.76 MEN1 (0.60) MAPTKMT2AALDH1A1MEN1SMN1; SMN2

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
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0228845-B1 N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed