SCHEMBL9874282

SCHEMBL9874282

Cc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.54
THRB P10828 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
PDE4B Q07343 1/20 0.47
TOP1 P11387 1/20 0.46
ELANE P08246 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL9872606 0.89 MAPT (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10377726 0.88 ALDH1A1 (0.56) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9872964 0.86 MAPT (0.60) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9601452 0.85 PDE4D (0.52) MAPTALDH1A1TDP1THRBPKM
SCHEMBL6960011 0.83 ALDH1A1 (0.54) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL6960006 0.83 ALDH1A1 (0.54) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9874931 0.81 MAPT (0.53) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9872729 0.81 MAPT (0.59) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9602883 0.81 MAPT (0.47) MAPTALDH1A1TDP1THRBMEN1
SCHEMBL9779540 0.81 ALDH1A1 (0.53) MAPTALDH1A1TDP1THRBMEN1

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