SCHEMBL9766599

SCHEMBL9766599

CCCCCCCc1ccc(-c2ccc(F)nc2)c(F)c1.CCCCCCc1ccc(-c2ccc(F)nc2)c(F)c1.CCCCCc1ccc(-c2ccc(F)nc2)c(F)c1.CCCCc1ccc(-c2ccc(F)nc2)c(F)c1.CCCc1ccc(-c2ccc(F)nc2)c(F)c1.CCc1ccc(-c2ccc(F)nc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 2/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
APLNR P35414 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL9160685 0.93 RARB (0.56) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9155782 0.93 RARB (0.56) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9152755 0.92 RARB (0.54) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9155798 0.90 RARB (0.49) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9152844 0.88 RARB (0.54) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9153896 0.88 RARB (0.54) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9162226 0.88 NPC1 (0.45) RARBRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL9157300 0.87 RARB (0.52) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9875203 0.86 RARB (0.41) RARBRARARARGRAB9ASMN1; SMN2
SCHEMBL9156642 0.85 RARB (0.47) RARBRARARARGRAB9ASMN1; SMN2

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed