SCHEMBL10736825

SCHEMBL10736825

CCOC(=O)c1nccn1Cc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ USP10 Q14694 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLAU P00749 1/20 0.38

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
SCHEMBL10737356 0.89 MAPT (0.41) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL10738457 0.87 KMT2A (0.48) MAPTLMNAHTTALDH1A1RAB9A
SCHEMBL10733258 0.84 RAB9A (0.45) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL10739935 0.83 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL10739797 0.80 CYP2D6 (0.47) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL10737468 0.80 MAPT (0.45) MAPTLMNASMN1; SMN2HTTALDH1A1
SCHEMBL30554021 0.75 KCNJ1 (0.51) MAPTLMNAHTTRAB9AMEN1
SCHEMBL29848981 0.73 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19783798 0.73 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL21395564 0.72 LMNA (0.56) MAPTLMNASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4686219-A 11-(Piperazin- or homopiperazin-1-yl)-5H-imidazo-(2,1-C)(1,4)benzodiazepines useful as anti-allergics BOEHRINGER INGELHEIM KG (DE) 1987-08-11 — — US disclosed
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