SCHEMBL20730409

SCHEMBL20730409

Cc1cnc2[nH]c3ccccc3c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.55
▸ PDK4 Q16654 1/20 0.55
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 3/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GABRP O00591 3/20 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
SCHEMBL8836341 0.77 POLB (0.51) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL31219105 0.73 KDM4E (0.49) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8836333 0.72 MAPK1 (0.51) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8835838 0.72 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL10440555 0.72 PARP1 (0.55) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL9436882 0.71 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL8835918 0.71 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL29572859 0.71 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL278729 0.71 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53CASP1
SCHEMBL16009917 0.70 PDK2 (0.52) PDK2PDK4NPC1RAB9ASMN1; SMN2

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-2019030604-A1 ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING APPARATUS 株式会社半導体エネルギー研究所 2019-02-14 — — WO disclosed
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