SCHEMBL11219161

SCHEMBL11219161

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL10956733 0.83 KMT2A (0.49) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL11230508 0.83 TSHR (0.49) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL28709509 0.82 CPA1 (0.47) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL11275085 0.80 KMT2A (0.46) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL11765691 0.77 TSHR (0.53) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL28744433 0.76 TSHR (0.52) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL11268069 0.74 TSHR (0.46) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL9720592 0.73 ALDH1A1 (0.57) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL8187567 0.72 ALDH1A1 (0.55) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL11650548 0.72 ALDH1A1 (0.55) TSHRALDH1A1MAPK1GSK3BTRPA1

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 6 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
EP-0000574-B1 BENZIMIDAZOLE-2 DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS CIBA-GEIGY AG (CH) 1982-08-04 — — EP disclosed
US-4323688-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-04-06 — — 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
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 — — EP disclosed
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