SCHEMBL17513340

SCHEMBL17513340

O=C(O)NCCc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
F9 P00740 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 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
SCHEMBL2551145 0.84 HTT (0.51) HTTF9SMN1; SMN2GAATSHR
SCHEMBL16176491 0.84 HTT (0.51) HTTF9SMN1; SMN2GAATSHR
SCHEMBL16176294 0.83 PRKAG1 (0.68) HTTF9SMN1; SMN2GAATP53
SCHEMBL10310242 0.83 F10 (0.47) HTTF9SMN1; SMN2GAATP53
SCHEMBL19378074 0.82 BCHE (0.49) HTTF9SMN1; SMN2TP53LMNA
SCHEMBL11217654 0.82 PRKAG1 (0.69) PRKAG1PRKAA2PRKAA1PRKAB1MAPT
SCHEMBL16176662 0.81 THRB (0.60) HTTF9SMN1; SMN2TP53LMNA
SCHEMBL12402240 0.80 TDP1 (0.45) HTTF9SMN1; SMN2GAATP53
SCHEMBL10454789 0.80 HTT (0.76) HTTSMN1; SMN2GAATSHRRECQL
SCHEMBL16176523 0.79 ALDH1A1 (0.61) HTTSMN1; SMN2TP53LMNATHRB

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-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed