SCHEMBL9465695

SCHEMBL9465695

Cc1ccc(Cc2nc(-c3ccccc3)nn(CCN3CCOCC3)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43

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
SCHEMBL9465413 0.96 MEN1 (0.52) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9465027 0.92 MAPT (0.54) MAPTSMN1; SMN2TSHRALDH1A1GAA
SCHEMBL9465008 0.90 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL9464813 0.89 AVPR1B (0.46) MAPTSMN1; SMN2NPC1RAB9AADRA1A
SCHEMBL9465745 0.85 SLC2A1 (0.47) MEN1KMT2AMAPTNPC1CYP1A2
SCHEMBL9464732 0.85 CETP (0.47) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL9464761 0.83 TSHR (0.45) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL9464546 0.83 MAPT (0.47) KMT2AMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL9465249 0.83 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2ADRA1A
SCHEMBL9464655 0.83 AVPR1B (0.47) MEN1KMT2AMAPTSMN1; SMN2TSHR

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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