SCHEMBL8985544

SCHEMBL8985544

CNCc1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NOS1 P29475 3/20 0.57
▸ NOS3 P29474 2/20 0.57
▸ BCHE P06276 7/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ NR4A2 P43354 1/20 0.54
▸ SMPD1 P17405 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL13814621 0.87 BCHE (0.73) MEN1KMT2AMAPK1NOS1NOS3
Hydrochloric Acid SCHEMBL9454945 0.86 BCHE (0.71) MEN1KMT2AMAPK1NOS1NOS3
Hydrochloric Acid SCHEMBL29873726 0.86 BCHE (0.71) MEN1KMT2AMAPK1NOS1NOS3
SCHEMBL6417799 0.85 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2NOS1NOS3
SCHEMBL13462917 0.83 MAOB (0.60) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL13948890 0.81 ALDH1A1 (0.55) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL21634323 0.80 MEN1 (0.65) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL28479499 0.80 NPC1 (0.57) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL11121827 0.80 SMN1; SMN2 (0.66) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL17894439 0.79 HTT (0.57) MEN1KMT2AMAPK1HTTSMN1; SMN2

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-5550292-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 — — US disclosed
EP-0666840-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-08-16 — — EP disclosed
WO-1995006630-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-09 — — WO disclosed
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