SCHEMBL27768781

SCHEMBL27768781

Cc1cc(Oc2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
PDE7A Q13946 1/20 0.53
ALDH1A1 P00352 8/20 0.52
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 3/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HSP90AA1 P07900 1/20 0.45
TBXA2R P21731 1/20 0.45
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3484489 0.81 MEN1 (0.53) MEN1KMT2AGAAPKMPDE7A
SCHEMBL11771697 0.81 PDE7A (0.59) MEN1KMT2AGAAPKMPDE7A
SCHEMBL10784186 0.81 MEN1 (0.71) MEN1KMT2AGAAPKMPDE7A
SCHEMBL27887553 0.80 MEN1 (0.56) MEN1KMT2AGAAPKMPDE7A
SCHEMBL3304697 0.79 TDP1 (0.56) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484189 0.78 TDP1 (0.64) MEN1KMT2AGAAPKMPDE7A
SCHEMBL3509441 0.77 PDE7A (0.68) MEN1KMT2AGAAPKMPDE7A
SCHEMBL4697145 0.76 KMT2A (0.54) MEN1KMT2AGAAPKMPDE7A
SCHEMBL11757479 0.76 PDE7A (0.71) MEN1KMT2AGAAPKMPDE7A
SCHEMBL10690832 0.76 ESRRA (0.47) MEN1KMT2AGAAPKMALDH1A1

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-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed