SCHEMBL21870985

SCHEMBL21870985

C=C(/C=C(\N=C(/N)c1ccc(Br)cc1)C1=CCC(C)C=C1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13461097 0.68 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12655605 0.68 NPC1 (0.35) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22812715 0.67 SMN1; SMN2 (0.43) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21871024 0.64 NPC1 (0.40) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16383190 0.63 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9925894 0.63 ALDH1A1 (0.42) NPC1RAB9AALDH1A1
SCHEMBL12697741 0.62 KDM1A (0.31) NPC1RAB9A
SCHEMBL12435375 0.61 ESR1 (0.34) MAPTNPC1RAB9A
SCHEMBL15434187 0.60 MEN1 (0.35) MAPTSMN1; SMN2
SCHEMBL23328064 0.60 PAX3 (0.31) —

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-2020067595-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 희성소재(주) 2020-04-02 — — WO disclosed
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