SCHEMBL11076070

SCHEMBL11076070

CCCCCc1cnc([C@H]2CC[C@H](CC)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.40
▸ RARB P10826 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SPHK2 Q9NRA0 7/20 0.35

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
SCHEMBL11076068 1.00 SPHK1 (0.40) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10341000 0.98 SPHK1 (0.42) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10340998 0.98 SPHK1 (0.42) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10582860 0.96 SPHK1 (0.38) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10582862 0.96 SPHK1 (0.38) SPHK1RARBL3MBTL1TDP1MAPT
SCHEMBL10576253 0.94 SPHK1 (0.40) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10579239 0.94 SPHK1 (0.40) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10579240 0.94 SPHK1 (0.40) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10577297 0.94 SPHK1 (0.40) SPHK1RARBMAPTRAB9ANPC1
SCHEMBL10577302 0.94 SPHK1 (0.40) SPHK1RARBMAPTRAB9ANPC1

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-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 — — US disclosed
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