SCHEMBL528225

SCHEMBL528225

COc1ccc(C(=O)Nc2ccc(CN(c3ccc(C)c(C)c3)S(=O)(=O)c3cn(C)cn3)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ROCK2 O75116 2/20 0.46
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
OXTR P30559 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 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
SCHEMBL528332 0.88 ALDH1A1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528697 0.85 MAPT (0.42) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528384 0.85 OXTR (0.44) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528549 0.85 MAPT (0.56) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528391 0.84 MAPT (0.62) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL529354 0.84 MAPT (0.55) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL527918 0.83 HPGD (0.65) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528578 0.83 ROCK2 (0.53) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL528858 0.81 ROCK2 (0.51) MAPTALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL539192 0.81 MAPT (0.49) MAPTALDH1A1HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed