SCHEMBL10340998

SCHEMBL10340998

CCCCCCCc1cnc([C@H]2CC[C@H](CC)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.42
▸ RARB P10826 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SPHK2 Q9NRA0 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10341000 1.00 SPHK1 (0.42) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL11076070 0.98 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL11076068 0.98 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10577302 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10576253 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10579240 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10577297 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10576248 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10579239 0.96 SPHK1 (0.40) SPHK1RARBMAPTRAB9ASMN1; SMN2
SCHEMBL10582860 0.94 SPHK1 (0.38) SPHK1RARBMAPTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354940-A1 IMPROVED LIQUID CRYSTAL MIXTURE MERCK PATENT GmbH (DE) 1990-02-21 — — EP disclosed
WO-1989006677-A1 IMPROVED LIQUID CRYSTAL MIXTURE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 — — WO disclosed
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