SCHEMBL30827215

SCHEMBL30827215

CC=Cc1nncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.44
▸ RAB9A P51151 9/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ TP53 P04637 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MPO P05164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ GOT1 P17174 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ AOX1 Q06278 1/20 0.44
▸ ACOX1 Q15067 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ BLM P54132 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
SCHEMBL291352 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL224748 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL8152019 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL5436460 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6008542 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29982208 0.76 S100A4 (0.41) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL7547757 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL9114296 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL9114290 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29982618 0.74 CYP11B2 (0.54) NPC1RAB9AKDM4EALDH1A1CYP3A4

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-117362661-A Hyperbranched carbon-nitrogen heterocyclic resin and resin composition, prepreg, circuit substrate and printed circuit board thereof 浙江华正新材料股份有限公司 2024-01-09 — — CN disclosed
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