SCHEMBL8774446

SCHEMBL8774446

CCCCCc1ccc([C@H]2CC[C@H](c3cnc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

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
KCNH2 Q12809 3/20 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
SCHEMBL8774457 1.00 SPHK1 (0.56) SPHK1SPHK2KDM4EMEN1USP2
SCHEMBL8774673 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8774682 0.96 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL8774408 0.91 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8774396 0.91 SPHK1 (0.43) SPHK1SPHK2
SCHEMBL8774920 0.86 SPHK1 (0.49) SPHK1SPHK2MAPTRAB9ASMN1; SMN2
SCHEMBL8774056 0.85 DRD2 (0.38) SPHK1KDM4EMEN1ALDH1A1GAA
SCHEMBL8774047 0.85 DRD2 (0.38) SPHK1KDM4EMEN1ALDH1A1GAA
SCHEMBL8774780 0.83 SPHK1 (0.46) SPHK1SPHK2MAPTRAB9A
SCHEMBL8774791 0.83 SPHK1 (0.46) 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 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