SCHEMBL9687765

SCHEMBL9687765

CN(C)/C=C/c1ccc([N+](=O)[O-])c2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
NOS1 P29475 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
APEX1 P27695 1/20 0.47
NOS3 P29474 1/20 0.47
CYP2C19 P33261 1/20 0.47
NOS2 P35228 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL9687771 1.00 MAPT (0.47) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL9689089 0.84 NOS1 (0.42) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL9689086 0.84 NOS1 (0.42) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL11606284 0.76 MAPT (0.59) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL9689065 0.74 MAPT (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL23275822 0.71 NOS1 (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL30293811 0.71 MAPT (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL12282300 0.71 NOS1 (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL28673208 0.71 MAPT (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR
SCHEMBL27153006 0.71 NOS1 (0.53) MAPTNOS1SMN1; SMN2CYP1A2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed