SCHEMBL5489925

SCHEMBL5489925

Cc1ncc(N)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
MAPK14 Q16539 7/20 0.48
SMO Q99835 7/20 0.48
NPC1 O15118 2/20 0.46
PKM P14618 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
MET P08581 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNH2 Q12809 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
SCHEMBL5481396 0.88 PARP10 (0.58) PARP10MAPK14SMONPC1PKM
SCHEMBL14534453 0.88 PARP10 (0.43) PARP10MAPK14SMOSMN1; SMN2KDM4E
SCHEMBL5485509 0.87 MAPK14 (0.49) PARP10MAPK14SMONPC1PKM
SCHEMBL14534447 0.84 ALDH1A1 (0.51) PARP10MAPK14SMONPC1PKM
SCHEMBL5480560 0.84 MEN1 (0.52) MAPK14SMONPC1RAB9AMAPT
SCHEMBL14534669 0.83 MAPK14 (0.44) PARP10MAPK14SMOSMN1; SMN2MAPT
SCHEMBL4416216 0.82 MAPK14 (0.53) MAPK14SMOMAPTKCNH2
SCHEMBL4415122 0.80 MAPK14 (0.69) MAPK14SMOMAPT
SCHEMBL4408195 0.80 PARP10 (0.48) PARP10MAPK14SMOSMN1; SMN2MAPT
SCHEMBL1922125 0.79 PRKCI (0.52) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed