SCHEMBL10692937

SCHEMBL10692937

CCCCCc1cnc(C2CCC(C)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 10/20 0.41
▸ RARB P10826 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SPHK2 Q9NRA0 6/20 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
SCHEMBL10716288 1.00 SPHK1 (0.41) SPHK1RARBTDP1L3MBTL1OPRM1
SCHEMBL10692430 0.98 SPHK1 (0.43) SPHK1RARBNPC1MAPTSTAT3
SCHEMBL10692930 0.86 SPHK1 (0.40) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL10692925 0.86 SPHK1 (0.40) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL11076068 0.86 SPHK1 (0.40) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL11076070 0.86 SPHK1 (0.40) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL11066960 0.84 SPHK1 (0.39) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL10692428 0.84 SPHK1 (0.42) SPHK1RARBNPC1MAPTSTAT3
SCHEMBL11066955 0.84 SPHK1 (0.39) SPHK1RARBTDP1L3MBTL1NPC1
SCHEMBL10341000 0.84 SPHK1 (0.42) SPHK1RARBNPC1MAPTSTAT3

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
US-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 — — US disclosed
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