SCHEMBL27920376

SCHEMBL27920376

c1ccc(Cc2ncnc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ CYP2C19 P33261 1/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ PI4KA P42356 2/20 0.55
▸ PI4K2B Q8TCG2 2/20 0.55
▸ PI4K2A Q9BTU6 2/20 0.55
▸ PI4KB Q9UBF8 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ BLM P54132 1/20 0.55

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
SCHEMBL28006871 0.84 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL9884055 0.82 CYP2C19 (0.67) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL218275 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL29366631 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL17009420 0.81 CYP2C19 (0.54) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL25948667 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL10547703 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL21685477 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL18040445 0.77 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL17017087 0.77 CYP2C19 (0.61) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2

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
CN-103262854-A Lycoris radiate herb bulb tillering promoter and application method thereof UNIV CHANGSHA SCIENCE 2013-08-28 — — CN disclosed
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