SCHEMBL27486190

SCHEMBL27486190

COc1cc(OC)cc(C(CNC(=O)CNC(=O)c2cccc(NC=NN)c2)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL27521095 0.91 KMT2A (0.42) GPR139KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27501985 0.88 ITGB1 (0.44) GPR139KMT2AMEN1SMN1; SMN2ITGB1
SCHEMBL27503083 0.87 HTT (0.43) GPR139KMT2ASMN1; SMN2ALDH1A1ITGB1
SCHEMBL27484818 0.86 SMN1; SMN2 (0.40) GPR139KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7343510 0.84 GPR139 (0.51) GPR139KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27486185 0.83 ALDH1A1 (0.41) GPR139KMT2AMEN1ALDH1A1ITGB1
SCHEMBL27486186 0.83 ITGB1 (0.39) GPR139KMT2AMEN1SMN1; SMN2ITGB1
SCHEMBL6778010 0.83 GPR139 (0.49) GPR139KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27504167 0.81 ITGB1 (0.51) GPR139SMN1; SMN2ITGB1ITGA5HTT
SCHEMBL27485520 0.80 HTT (0.42) GPR139KMT2AMEN1SMN1; SMN2ALDH1A1

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed