SCHEMBL7791042

SCHEMBL7791042

COC(=O)c1ccc(-c2cnc(-c3ccc(O)c(F)c3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.52
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HSD17B14 Q9BPX1 1/20 0.48
EGFR P00533 1/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA7 P43166 2/20 0.46
XDH P47989 2/20 0.46
MAP2K4 P45985 1/20 0.44
SGK1 O00141 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43

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
SCHEMBL7794959 0.95 HSD17B14 (0.51) ERN1KDM4ELMNAHSD17B10HSD17B14
SCHEMBL7794967 0.81 HSD17B14 (0.54) KDM4ELMNAHSD17B10HSD17B14CYP17A1
SCHEMBL7793973 0.80 CA1 (0.65) ERN1KDM4ELMNAEGFRCA12
SCHEMBL7795432 0.80 CA1 (0.65) ERN1KDM4ELMNAEGFRCA12
SCHEMBL38655263 0.78 ERN1 (0.51) ERN1KDM4ELMNAEGFRCA12
SCHEMBL199239 0.77 CA1 (0.69) ERN1KDM4ELMNAHSD17B10CA12
SCHEMBL38655297 0.76 ERN1 (0.59) ERN1KDM4ELMNAEGFRCA12
SCHEMBL3468564 0.75 CA1 (0.56) ERN1KDM4ELMNAHSD17B10CA12
SCHEMBL16844649 0.75 EGFR (0.63) ERN1KDM4ELMNAHSD17B10EGFR
SCHEMBL4652494 0.75 ERN1 (0.64) ERN1EGFRCA12CA1CA2

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