SCHEMBL9025713

SCHEMBL9025713

CC(=O)c1cc(C(=O)Cl)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
HPGD P15428 5/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9038615 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15MAOBMAOASMN1; SMN2
SCHEMBL9053212 0.85 KEAP1 (0.43) POLBAPEX1ALDH1A1MAOBMAOA
SCHEMBL3621616 0.84 POLB (0.56) POLBAPEX1HPGDSMN1; SMN2MAPT
SCHEMBL15757221 0.82 POLB (0.46) POLBAPEX1MAOBMAOAHPGD
SCHEMBL7931028 0.81 ALDH1A1 (0.46) POLBAPEX1ALDH1A1ALOX15HPGD
SCHEMBL9793665 0.79 ALDH1A1 (0.45) POLBAPEX1ALDH1A1ALOX15HPGD
SCHEMBL17071867 0.79 POLB (0.43) POLBAPEX1MAOBMAOAHPGD
SCHEMBL8183434 0.78 KDM4E (0.42) POLBAPEX1ALDH1A1ALOX15HPGD
SCHEMBL19433388 0.78 POLB (0.43) POLBAPEX1ALDH1A1MAOBMAOA
SCHEMBL2630704 0.78 POLB (0.46) POLBAPEX1MAOBMAOAHPGD

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
JP-8259521-A None JP disclosed
JP-H08259521-A SUBSTITUTED BENZOYL CHLORIDE DERIVATIVE AND ITS PRODUCTION CENTRAL GLASS CO LTD 1996-10-08 JP disclosed