SCHEMBL7794972

SCHEMBL7794972

CCCCCCCCC(F)COc1cnc(-c2ccc(O)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
RARB P10826 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LTA4H P09960 2/20 0.38
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL7795401 0.92 RAB9A (0.47) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20437107 0.91 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9617307 0.91 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9551358 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9223386 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8023831 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10615602 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL14802208 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10615598 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10338488 0.88 NPC1 (0.53) NR5A1RAB9ANPC1SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 EP disclosed