SCHEMBL9874545

SCHEMBL9874545

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.54
AR P10275 7/20 0.53
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA3 P0DMS8 1/20 0.49
CACNA1D Q01668 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL9872964 0.90 MAPT (0.60) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9872606 0.86 MAPT (0.53) ARRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL9874432 0.84 MAPT (0.56) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL10375291 0.80 KDM4E (0.59) ARRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL10377726 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTMEN1POLB
SCHEMBL9185554 0.79 ALDH1A1 (0.54) PRKCZRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL9779315 0.78 MAPT (0.59) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL2510353 0.78 SMN1; SMN2 (0.65) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9873424 0.78 MAPT (0.56) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL9779333 0.78 MAPT (0.61) RAB9AALDH1A1GAASMN1; SMN2KDM4E

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