SCHEMBL8540657

SCHEMBL8540657

Cc1cccc([N+](=O)[O-])c1-c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 4/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NISCH Q9Y2I1 2/20 0.39
S100A4 P26447 1/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MTOR P42345 1/20 0.38
ADK P55263 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
SCHEMBL6001368 0.81 NISCH (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ANISCH
Hydrochloric Acid SCHEMBL29265356 0.79 NISCH (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ANISCH
SCHEMBL8537581 0.79 CYP1A2 (0.37) TSHRSMN1; SMN2TDP1GAALMNA
SCHEMBL6051840 0.77 TSHR (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL4389459 0.77 ALDH1A1 (0.51) TSHRSMN1; SMN2TDP1MGAMGAA
SCHEMBL28766417 0.76 NISCH (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ANISCH
SCHEMBL1303527 0.75 CSNK1A1 (0.50) SMN1; SMN2TDP1MGAMGAASI
SCHEMBL9260794 0.74 NISCH (0.46) TSHRSMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL1837259 0.73 NISCH (0.50) TSHRSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL3684600 0.73 NISCH (0.50) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed