SCHEMBL21793706

SCHEMBL21793706

Nc1ccc(-c2ccc(-c3cnc4cc(Cl)ccc4n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.60
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ APP P05067 3/20 0.56
▸ FGFR3 P22607 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ PIK3CG P48736 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PARP1 P09874 2/20 0.42

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
SCHEMBL30107670 0.90 NPC1 (0.68) TLR9NPC1RAB9ASMN1; SMN2APP
SCHEMBL15850502 0.90 NPC1 (0.68) TLR9NPC1RAB9ASMN1; SMN2APP
SCHEMBL21777625 0.86 NPC1 (0.68) TLR9NPC1RAB9ASMN1; SMN2FGFR3
SCHEMBL28853094 0.85 TLR9 (0.81) TLR9NPC1RAB9ASMN1; SMN2APP
SCHEMBL21793877 0.84 NPC1 (0.57) TLR9NPC1RAB9ASMN1; SMN2APP
SCHEMBL30723189 0.84 NPC1 (0.57) TLR9NPC1RAB9ASMN1; SMN2APP
SCHEMBL27323740 0.83 BCHE (0.63) TLR9NPC1RAB9ASMN1; SMN2FGFR3
SCHEMBL30665751 0.83 BCHE (0.63) TLR9NPC1RAB9ASMN1; SMN2FGFR3
SCHEMBL31503559 0.82 SMN1; SMN2 (0.67) TLR9NPC1RAB9ASMN1; SMN2FGFR3
SCHEMBL28534153 0.82 SMN1; SMN2 (0.67) TLR9NPC1RAB9ASMN1; SMN2FGFR3

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
WO-2020046335-A1 COMPOUNDS USEFUL AS CHAPERONE-MEDIATED AUTOPHAGY MODULATORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2020-03-05 — — WO disclosed
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