SCHEMBL7794967

SCHEMBL7794967

Oc1ccc(-c2cnc(-c3ccc(O)c(F)c3)nc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
HSD17B1 P14061 5/20 0.50
HSD17B2 P37059 4/20 0.50
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP17A1 P05093 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
MGLL Q99685 3/20 0.45

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
SCHEMBL27612952 0.89 KDM4E (0.49) HSD17B14KDM4ELMNAHSD17B10ESR1
SCHEMBL1951514 0.83 FEN1 (0.52) HSD17B14KDM4ELMNAHSD17B10ESR1
SCHEMBL857363 0.81 ESR1 (0.68) KDM4ELMNAHSD17B10ESR1ESR2
SCHEMBL30635318 0.81 ESR1 (0.68) KDM4ELMNAHSD17B10ESR1ESR2
SCHEMBL7794959 0.81 HSD17B14 (0.51) HSD17B14KDM4ELMNAHSD17B10HSD17B1
SCHEMBL7791042 0.81 ERN1 (0.52) HSD17B14KDM4ELMNAHSD17B10HSD17B1
SCHEMBL6249403 0.79 MGLL (0.46) ESR1MGLL
SCHEMBL9740614 0.78 MAPT (0.54) KDM4ELMNAHSD17B10ESR1MEN1
SCHEMBL6249433 0.78 MAPT (0.54) KDM4ELMNAHSD17B10ESR1MEN1
SCHEMBL6250464 0.78 MAPT (0.54) KDM4ELMNAHSD17B10ESR1MEN1

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