SCHEMBL11274649

SCHEMBL11274649

CC(N)C(CC(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CES1 P23141 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11268069 0.84 TSHR (0.46) KMOTSHRL3MBTL1MAPTHPGD
SCHEMBL28744433 0.80 TSHR (0.52) KMOTSHRL3MBTL1MAPTHPGD
SCHEMBL11262851 0.76 TSHR (0.55) TSHRL3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL16274031 0.76 TSHR (0.59) TSHRL3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL10508818 0.75 L3MBTL1 (0.49) TSHRL3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL11765691 0.75 TSHR (0.53) KMOTSHRL3MBTL1MAPTHPGD
SCHEMBL11230508 0.74 TSHR (0.49) KMOTSHRL3MBTL1MAPTHPGD
SCHEMBL10956733 0.74 KMT2A (0.49) KMOTSHRL3MBTL1MAPTHPGD
Hydrochloric Acid SCHEMBL9537072 0.72 TSHR (0.46) KMOTSHRL3MBTL1MAPTHPGD
SCHEMBL10517046 0.72 TSHR (0.63) TSHRL3MBTL1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 — — US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 — — US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 — — US disclosed
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