SCHEMBL7795401

SCHEMBL7795401

CCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR5A1 Q13285 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
LTA4H P09960 2/20 0.41
MAPT P10636 3/20 0.40
RARB P10826 4/20 0.40
STAT3 P40763 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PLA2G4B P0C869 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL9754258 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10470566 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10470188 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10470615 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10469762 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10469832 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL10470518 0.92 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7794972 0.92 NR5A1 (0.42) RAB9ANPC1MEN1KMT2ANR5A1
SCHEMBL10469929 0.91 NPC1 (0.52) RAB9ANPC1NR5A1SMN1; SMN2KDM4E
SCHEMBL10468919 0.91 NPC1 (0.52) RAB9ANPC1NR5A1SMN1; 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