SCHEMBL8774128

SCHEMBL8774128

CCCCCc1ccc(C2CCC(c3cnc(F)c(F)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.56
SPHK2 Q9NRA0 7/20 0.49
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37

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
SCHEMBL8774121 1.00 SPHK1 (0.56) SPHK1SPHK2KDM4EMEN1USP2
SCHEMBL8774311 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8774316 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8774507 0.91 SPHK1 (0.43) SPHK1SPHK2RAB9ASMN1; SMN2HSD17B10
SCHEMBL8774520 0.91 SPHK1 (0.43) SPHK1SPHK2RAB9ASMN1; SMN2HSD17B10
SCHEMBL8774147 0.85 SPHK1 (0.35) SPHK1KDM4E
SCHEMBL8774153 0.85 SPHK1 (0.35) SPHK1KDM4E
SCHEMBL8775002 0.84 RAB9A (0.44) KDM4ERAB9AHTR2A
SCHEMBL8774998 0.84 RAB9A (0.44) KDM4ERAB9AHTR2A
SCHEMBL8774616 0.83 RAB9A (0.46) KDM4ERAB9AHTR2A

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed