SCHEMBL9471902

SCHEMBL9471902

O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ ALDH1A1 P00352 5/20 0.56
▸ GLA P06280 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ RECQL P46063 1/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ LTB4R2 Q9NPC1 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAOB P27338 1/20 0.48

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
SCHEMBL8860030 0.84 CA12 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9159771 0.81 CA12 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9152837 0.80 POLB (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8860020 0.79 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9158223 0.79 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9157740 0.77 KMT2A (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9471262 0.76 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9471693 0.76 ALDH1A1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9157809 0.76 ALDH1A1 (0.62) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9134971 0.75 CA12 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1

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-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 — — US disclosed
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