SCHEMBL4797286

SCHEMBL4797286

c1c[nH]c(C(=C(c2ncc[nH]2)c2ncc[nH]2)c2ncc[nH]2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
NISCH Q9Y2I1 2/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
FDPS P14324 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
F2RL1 P55085 1/20 0.33

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
SCHEMBL1765877 0.78
SCHEMBL2004766 0.78 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL947710 0.78
SCHEMBL11137294 0.78 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL1324 0.78 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL3636236 0.78 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL18190 0.78 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL18862994 0.78 KMT2A (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL7695257 0.76
Bromide SCHEMBL7371333 0.76 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008004735-A1 MICROPATTERN-FORMING RESIN COMPOSITON AND METHOD FOR FORMING MICROPATTERN USING THE SAME CHEIL INDUSTRIES INC. (KR) 2008-01-10 WO claimed
WO-2008004735-A1 MICROPATTERN-FORMING RESIN COMPOSITON AND METHOD FOR FORMING MICROPATTERN USING THE SAME CHEIL INDUSTRIES INC. (KR) 2008-01-10 WO disclosed