SCHEMBL11279686

SCHEMBL11279686

CCCC(=O)c1cc([N+](=O)[O-])c(NCC)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.52
LMNA P02545 3/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 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
SCHEMBL11274736 0.88 HCAR3 (0.57) HCAR3LMNAMAPTALDH1A1NPC1
SCHEMBL11208114 0.88 HCAR3 (0.47) HCAR3LMNAMAPTALDH1A1NPC1
SCHEMBL11231775 0.79 LMNA (0.42) LMNAMAPTALDH1A1RECQLHPGD
SCHEMBL11220359 0.79 VCAM1 (0.43) LMNAMAPTALDH1A1HTTL3MBTL1
Acetamide SCHEMBL17254513 0.77 HCAR3 (0.54) HCAR3LMNAMAPTALDH1A1DCTPP1
SCHEMBL13401684 0.77 HCAR3 (0.64) HCAR3LMNAMAPTALDH1A1HTT
SCHEMBL11071632 0.74 MAPT (0.42) LMNAMAPTALDH1A1NPC1PKM
SCHEMBL13206384 0.74 LMNA (0.61) HCAR3LMNAMAPTALDH1A1HTT
SCHEMBL11267369 0.73 HCAR3 (0.43) HCAR3LMNAMAPTALDH1A1NPC1
SCHEMBL11061402 0.73 ALDH1A1 (0.36) LMNAMAPTALDH1A1HTTRECQL

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