SCHEMBL3245140

SCHEMBL3245140

[CH2]CCCNC(=O)Nc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.61
EPHX1 P07099 7/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
BAZ1A Q9NRL2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
EPHX2 P34913 1/20 0.46
CDK2 P24941 1/20 0.46
FLT4 P35916 1/20 0.46
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6064818 0.85 EPHX1 (0.66) MARS1EPHX1ALDH1A1CYP1A2HTT
SCHEMBL8601252 0.82 EPHX1 (0.75) MARS1EPHX1ALDH1A1HTTMAPT
SCHEMBL8599247 0.82 EPHX1 (0.75) MARS1EPHX1ALDH1A1HTTMAPT
SCHEMBL3157400 0.82 EPHX1 (0.75) MARS1EPHX1ALDH1A1HTTMAPT
SCHEMBL8598231 0.82 EPHX1 (0.75) MARS1EPHX1ALDH1A1HTTMAPT
SCHEMBL8599536 0.82 EPHX1 (0.75) MARS1EPHX1ALDH1A1HTTMAPT
SCHEMBL4063235 0.82 EPHX1 (0.68) EPHX1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL7098401 0.82 MARS1 (0.55) MARS1EPHX1ALDH1A1CYP1A2KMT2A
SCHEMBL28516814 0.81 MAPT (0.72) MARS1EPHX1ALDH1A1CYP1A2KMT2A
SCHEMBL6688583 0.81 MARS1 (0.60) MARS1EPHX1ALDH1A1CYP1A2KMT2A

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
EP-1136886-B1 Positive-working presensitized plate useful for preparing a lithographic printing plate FUJIFILM CORP (JP) 2010-05-19 EP disclosed