SCHEMBL10554191

SCHEMBL10554191

FC(F)(F)COc1ccc(Cc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
MAPT P10636 3/20 0.46
CYP17A1 P05093 4/20 0.43
LMNA P02545 1/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 1/20 0.42
MAOB P27338 3/20 0.40
CACNA1B Q00975 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
POLB P06746 1/20 0.40
SCN5A Q14524 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL408187 0.85 ALDH1A1 (0.47) MAPTCYP17A1CYP3A4PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL28121739 0.83 ALDH1A1 (0.45) MAPTCYP17A1CYP3A4MAOBPIK3CD
SCHEMBL27876154 0.81 LTA4H (0.55) LTA4HLMNAPIK3CDPIK3CAPIK3CB
SCHEMBL8873188 0.81 LTA4H (0.56) LTA4HCYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL498377 0.78 ALDH1A1 (0.56) MAPTCYP17A1LMNAMAOBPIK3CD
SCHEMBL3890418 0.73 MAOB (0.61) MAPTMAOBALDH1A1
SCHEMBL28931548 0.73 ALDH1A1 (0.44) MAPTCYP17A1LMNAMAOBPIK3CD
SCHEMBL14331359 0.73 LTA4H (0.45) LTA4HMAPTCYP17A1LMNAMAOB
SCHEMBL10271093 0.73 SMN1; SMN2 (0.45) MAPTCYP17A1LMNAMAOBPIK3CD
SCHEMBL122100 0.73 ALDH1A1 (0.44) MAPTCYP17A1LMNAMAOBPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 EP disclosed