SCHEMBL11230508

SCHEMBL11230508

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ KMO O15229 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPK1 P28482 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
▸ ALDH1A1 P00352 5/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ LMNA P02545 3/20 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
SCHEMBL11219161 0.83 TSHR (0.49) TSHRKMOKMT2AMAPTMEN1
SCHEMBL10956733 0.83 KMT2A (0.49) TSHRKMOKMT2AMAPTMEN1
SCHEMBL28709509 0.82 CPA1 (0.47) TSHRKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL11275085 0.80 KMT2A (0.46) TSHRKMOKMT2AMAPTMEN1
SCHEMBL11765691 0.77 TSHR (0.53) TSHRKMOKMT2AMAPTMEN1
SCHEMBL28744433 0.76 TSHR (0.52) TSHRKMOKMT2AMAPTMEN1
SCHEMBL9206692 0.74 TSHR (0.59) TSHRKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL11274649 0.74 KMO (0.49) TSHRKMOKMT2AMAPTMEN1
SCHEMBL18863645 0.73 TSHR (0.57) TSHRKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL9279472 0.72 CPA1 (0.46) —

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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