SCHEMBL5485509

SCHEMBL5485509

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
SMO Q99835 8/20 0.49
PARP10 Q53GL7 1/20 0.47
MET P08581 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
KCNH2 Q12809 1/20 0.47
GPR55 Q9Y2T6 1/20 0.46

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 0.91 PARP10 (0.58) MAPK14SMOPARP10RAB9ANPC1
SCHEMBL14534447 0.89 ALDH1A1 (0.51) MAPK14SMOPARP10ALDH1A1RAB9A
SCHEMBL5489925 0.87 PARP10 (0.48) MAPK14SMOPARP10METALDH1A1
SCHEMBL5480560 0.83 MEN1 (0.52) MAPK14SMORAB9ANPC1MAPT
SCHEMBL4416216 0.83 MAPK14 (0.53) MAPK14SMOMAPTKCNH2
SCHEMBL14534467 0.81 NR1H4 (0.49) MAPK14SMOKCNH2
SCHEMBL4415122 0.81 MAPK14 (0.69) MAPK14SMOMAPT
SCHEMBL5496963 0.79 MAPK14 (0.44) MAPK14SMOMAPTSMN1; SMN2KCNH2
SCHEMBL14534669 0.79 MAPK14 (0.44) MAPK14SMOPARP10MAPTSMN1; SMN2
SCHEMBL4408412 0.79 MAPK14 (0.44) MAPK14SMOMAPTSMN1; SMN2KCNH2

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