SCHEMBL9710358

SCHEMBL9710358

CCCCCCCOc1ccc(I)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR5A1 Q13285 1/20 0.40
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL9706437 1.00 THRA (0.43) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL9706404 1.00 THRA (0.43) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL9317819 1.00 THRA (0.43) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL9710301 1.00 THRA (0.43) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL28427120 0.93 CYP1A2 (0.42) THRATHRBL3MBTL1NR5A1ESR1
SCHEMBL19160350 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL19160557 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL19160763 0.87 NR5A1 (0.50) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL19160349 0.85 L3MBTL1 (0.46) THRATHRBL3MBTL1MEN1NR1I2
SCHEMBL19160421 0.85 L3MBTL1 (0.46) THRATHRBL3MBTL1MEN1NR1I2

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
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed