SCHEMBL9874845

SCHEMBL9874845

CCCCCc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1.CCCCc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1.CCCc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1.CCc1ccc(C2CCC(c3ccc(F)nc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.52
SPHK2 Q9NRA0 7/20 0.46
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL9874841 1.00 SPHK1 (0.52) SPHK1SPHK2KDM4EMEN1USP2
SCHEMBL9161349 0.93 SPHK1 (0.59) SPHK1SPHK2KDM4EMEN1USP2
SCHEMBL9161339 0.93 SPHK1 (0.59) SPHK1SPHK2KDM4EMEN1USP2
SCHEMBL9157412 0.91 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9157402 0.91 SPHK1 (0.54) SPHK1SPHK2
SCHEMBL9157583 0.89 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL9157571 0.89 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL9158730 0.86 SPHK1 (0.38) SPHK1SPHK2KDM4EKMT2ASMN1; SMN2
SCHEMBL9158726 0.86 SPHK1 (0.38) SPHK1SPHK2KDM4EKMT2ASMN1; SMN2
SCHEMBL9874452 0.84 SPHK1 (0.38) SPHK1SPHK2MAPTRAB9A

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
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed