SCHEMBL11401034

SCHEMBL11401034

COc1ccc(O)c(C2NCCS2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
KDM1A O60341 1/20 0.41
MAPT P10636 4/20 0.41
MAOA P21397 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 1/20 0.36
MAP2K1 Q02750 3/20 0.36

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
SCHEMBL12470883 0.81 MEN1 (0.55) ERN1MAPTMAOATDP1ALDH1A1
SCHEMBL11400118 0.80 MAPT (0.56) ERN1KDM1AMAPTMAOATDP1
SCHEMBL11401198 0.77 ERN1 (0.43) ERN1KDM1AMAPTTDP1ALDH1A1
SCHEMBL11402286 0.77 HTR2C (0.43) ERN1KDM1AMAPTTDP1ALDH1A1
SCHEMBL2084131 0.74 MAPT (0.66) ERN1KDM1AMAPTMAOATDP1
SCHEMBL12264767 0.74 TSHR (0.50) ERN1MAPTTDP1ALDH1A1MEN1
SCHEMBL2082412 0.73 TSHR (0.57) ERN1MAPTTDP1ALDH1A1MEN1
SCHEMBL31529055 0.73 TSHR (0.57) ERN1MAPTTDP1ALDH1A1MEN1
SCHEMBL31529056 0.73 TSHR (0.57) ERN1MAPTTDP1ALDH1A1MEN1
SCHEMBL8951248 0.73 MAPT (0.44) ERN1MAPTTDP1ALDH1A1MEN1

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
US-4291032-A ANALGESICS RHONE POULENC INDUSTRIES (FR) 1981-09-22 US disclosed