SCHEMBL9649663

SCHEMBL9649663

CCCCC[C@H]1CC[C@H](CCc2cnc(-c3ccc(F)c(F)c3)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PDE5A O76074 1/20 0.37
GCGR P47871 1/20 0.35
NPC1 O15118 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NPY5R Q15761 1/20 0.35
AXL P30530 2/20 0.34
TYRO3 Q06418 2/20 0.34

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
SCHEMBL9649673 1.00 RARB (0.41) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9650414 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9648739 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9646587 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9648727 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9646591 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9650007 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9650419 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9650173 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA
SCHEMBL9650178 0.99 RARB (0.43) RARBRAB9ASMN1; SMN2HSD17B10GAA

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
US-5167858-A Pyrimidine derivative and liquid crystal composition contain the same CHISSO CORPORATION (JP) 1992-12-01 US claimed
US-5167858-A Pyrimidine derivative and liquid crystal composition contain the same CHISSO CORPORATION (JP) 1992-12-01 US disclosed