SCHEMBL10477163

SCHEMBL10477163

CCCCc1ccc(CC[C@H]2CC[C@H](c3ccc(N=C=S)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.47
▸ P2RY6 Q15077 1/20 0.45
▸ SPHK2 Q9NRA0 7/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL10477108 1.00 SPHK1 (0.47) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347716 1.00 SPHK1 (0.47) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347715 1.00 SPHK1 (0.47) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347640 0.96 SPHK1 (0.52) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347641 0.96 SPHK1 (0.52) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347899 0.95 SPHK1 (0.54) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10348252 0.95 SPHK1 (0.54) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347896 0.95 SPHK1 (0.54) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347897 0.95 SPHK1 (0.54) SPHK1P2RY6SPHK2MEN1MAPK1
SCHEMBL10347637 0.95 SPHK1 (0.54) SPHK1P2RY6SPHK2MEN1MAPK1

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-4849130-A ISOTHIOCYANATES WOJSKOWA AKADEMIA TECHNICZNA (PL) 1989-07-18 — — US disclosed
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