SCHEMBL7100199

SCHEMBL7100199

Cc1cc(Oc2ccc(OCc3ccccc3)cc2)c(N)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IKBKE Q14164 1/20 0.44
ALOX5 P09917 1/20 0.44
FFAR1 O14842 1/20 0.44
GSTP1 P09211 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
SCHEMBL7012161 0.83 MAOB (0.53) MAOBGAAMAPTMAOARAB9A
SCHEMBL7004629 0.83 MAOB (0.53) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL7004099 0.79 MAOB (0.55) MAOBGAAMAPTMAOARAB9A
SCHEMBL8586421 0.79 MAOB (0.62) MAOBGAAMAPTMAOARAB9A
SCHEMBL2852071 0.79 MAOB (0.58) MAOBGAAMAPTMAOARAB9A
SCHEMBL1894067 0.79 MAOB (0.58) MAOBGAAMAPTMAOARAB9A
SCHEMBL7011553 0.78 MAOB (0.50) MAOBGAAMAPTMAOARAB9A
Hydrochloric Acid SCHEMBL7006208 0.78 MAPT (0.60) MAOBGAAMAPTMAOARAB9A
SCHEMBL7013006 0.77 CYP1A2 (0.69) MAOBGAAMAPTMAOARAB9A
SCHEMBL4644108 0.77 L3MBTL1 (0.55) MAOBGAAMAPTMAOARAB9A

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-0978506-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-08 EP disclosed
US-6156801-A 2-phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
EP-0978506-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-09 EP disclosed