SCHEMBL11268069

SCHEMBL11268069

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KMO O15229 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ 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

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
SCHEMBL11274649 0.84 KMO (0.49) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL28744433 0.80 TSHR (0.52) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL11484881 0.76 TSHR (0.55) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2598225 0.76 TSHR (0.59) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL11765691 0.75 TSHR (0.53) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL11219161 0.74 TSHR (0.49) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL10956733 0.74 KMT2A (0.49) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5194237 0.73 TSHR (0.55) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL5197853 0.72 TSHR (0.59) TSHRL3MBTL1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9537072 0.72 TSHR (0.46) TSHRL3MBTL1ALDH1A1MAPTHPGD

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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