SCHEMBL9424628

SCHEMBL9424628

CCCCC[C@H](COc1cnc(-c2ccc(O)cc2)nc1)OC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR5A1 Q13285 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LTA4H P09960 1/20 0.32
PLA2G2A P14555 6/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
PNLIP P16233 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
ATM Q13315 1/20 0.30
TNK2 Q07912 1/20 0.30

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
SCHEMBL9424549 0.88 PLA2G2A (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9424381 0.85 NPC1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8668775 0.79 MEN1 (0.34) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8073111 0.78 RARB (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8072731 0.78 RARB (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9424624 0.76 NPC1 (0.35) MEN1KMT2ANR5A1NPC1RAB9A
SCHEMBL9345719 0.75 RARB (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9345707 0.75 RARB (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7785424 0.72 MEN1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7794972 0.72 NR5A1 (0.42) MEN1KMT2ANR5A1NPC1RAB9A

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
US-5290477-A Fluoroalkyl phenoxy containing pyrimidine-type compound TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-03-01 US disclosed