SCHEMBL10440334

SCHEMBL10440334

C=CCOc1cc(N2C(=O)C3CCCCN3C2=O)c(F)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.43
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9384103 0.87 PPOX (0.41) PPOXARKMT2AMEN1KDM4E
SCHEMBL10440441 0.83 PPOX (0.41) PPOXARSMN1; SMN2KMT2AMEN1
SCHEMBL10440318 0.77 AR (0.45) PPOXARSMN1; SMN2KMT2AKDM4E
SCHEMBL9664148 0.76 PPOX (0.45) PPOXARSMN1; SMN2KDM4EALDH1A1
SCHEMBL10938117 0.75 PPOX (0.51) PPOXARSMN1; SMN2
SCHEMBL10940936 0.75 PPOX (0.47) PPOXARSMN1; SMN2KMT2AKDM4E
SCHEMBL10613566 0.75 PPOX (0.65) PPOXARSMN1; SMN2KMT2AALDH1A1
SCHEMBL10463025 0.74 AR (0.40) ARSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL10510772 0.74 PPOX (0.53) PPOX
SCHEMBL9273018 0.74 LMNA (0.35) PPOXARKMT2AMEN1ALDH1A1

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
EP-0363585-A1 N-aryl nitrogen heterocycles BAYER AG (DE) 1990-04-18 EP disclosed