SCHEMBL7019101

SCHEMBL7019101

CCOc1ccc(Oc2ccc(OCc3c(F)cccc3F)cc2)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.67
MAPT P10636 5/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 3/20 0.41
PPARD Q03181 3/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
LTA4H P09960 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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 SCHEMBL7026436 0.99 CACNA1C (0.65) CACNA1CMAPTLMNAL3MBTL1ATM
SCHEMBL7022579 0.88 CACNA1C (0.52) CACNA1CMAPTLMNAL3MBTL1ATM
Hydrochloric Acid SCHEMBL7025520 0.87 CACNA1C (0.51) CACNA1CMAPTLMNAL3MBTL1ATM
Hydrochloric Acid SCHEMBL7024465 0.85 CACNA1C (0.68) CACNA1CMAPTLMNAL3MBTL1ATM
SCHEMBL8055937 0.82 CACNA1C (0.67) CACNA1CMAPTLMNAL3MBTL1ATM
SCHEMBL7025437 0.81 LTA4H (0.48) CACNA1CMAPTSMN1; SMN2LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7024049 0.80 CACNA1C (0.67) CACNA1CMAPTLMNAL3MBTL1ATM
SCHEMBL742344 0.80 CACNA1C (1.00) CACNA1CMAPTLMNAL3MBTL1ATM
SCHEMBL29447128 0.80 CACNA1C (1.00) CACNA1CMAPTLMNAL3MBTL1ATM
Hydrochloric Acid SCHEMBL7026665 0.80 LTA4H (0.47) CACNA1CMAPTSMN1; SMN2LTA4HALDH1A1

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