SCHEMBL7026458

SCHEMBL7026458

COc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.80
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 1/20 0.43
SLC6A4 P31645 3/20 0.42
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSPO P30536 3/20 0.41
PARP10 Q53GL7 2/20 0.40
ADRA1A P35348 1/20 0.40

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
Hydrochloric Acid SCHEMBL7030534 0.99 CACNA1C (0.78) CACNA1CMAPTALDH1A1MEN1KMT2A
SCHEMBL29447128 0.89 CACNA1C (1.00) CACNA1CMAPTALDH1A1MEN1KMT2A
SCHEMBL742344 0.89 CACNA1C (1.00) CACNA1CMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7028351 0.88 CACNA1C (0.98) CACNA1CMAPTALDH1A1MEN1KMT2A
SCHEMBL12389509 0.88 CACNA1C (0.76) CACNA1CMAPTALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL7022421 0.86 CACNA1C (0.73) CACNA1CMAPTALDH1A1MEN1KMT2A
SCHEMBL7027453 0.84 CACNA1C (0.71) CACNA1CMAPTALDH1A1GAASLC6A4
Hydrochloric Acid SCHEMBL7028292 0.83 CACNA1C (0.70) CACNA1CMAPTGAASLC6A4HTR2A
SCHEMBL13577199 0.80 CACNA1C (0.62) CACNA1CMAPTALDH1A1MEN1KMT2A
SCHEMBL7022579 0.80 CACNA1C (0.52) CACNA1CMAPTALDH1A1MEN1KMT2A

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-1031556-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-22 EP disclosed
US-6162832-A 2-Phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., INC. (JP) 2000-12-19 US disclosed
EP-1031556-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-08-30 EP disclosed