SCHEMBL9710430

SCHEMBL9710430

Cc1nc(CC(=O)ON)sc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
IDO1 P14902 2/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PPARA Q07869 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9710578 0.84 COPS5 (0.38) MAPTMEN1KMT2APOLBGAA
SCHEMBL9457482 0.77 POLB (0.50) RAB9AMAPTMEN1KMT2APOLB
SCHEMBL9710427 0.77 RAB9A (0.44) RAB9AIDO1MAPTMEN1KMT2A
SCHEMBL9427047 0.76 ALDH1A1 (0.50) RAB9AMAPTMEN1KMT2APOLB
SCHEMBL9458234 0.75 MEN1 (0.43) MAPTMEN1KMT2APOLBHTT
SCHEMBL9457588 0.71 RAB9A (0.47) RAB9AMAPTMEN1KMT2APOLB
SCHEMBL4834573 0.71 RAB9A (0.51) RAB9AIDO1MAPTMEN1KMT2A
SCHEMBL9710207 0.69 COPS5 (0.36)
SCHEMBL27410113 0.66 TSHR (0.56) IDO1MAPTMEN1KMT2AHTT
SCHEMBL260345 0.64 RAB9A (0.60) RAB9AMAPTGAALMNAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed