SCHEMBL17513258

SCHEMBL17513258

NC(CCO)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
ESR1 P03372 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRA2C P18825 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL15129327 0.85 TP53 (0.57) TP53LMNAHTTESR1IDO1
SCHEMBL10396654 0.85 TP53 (0.57) TP53LMNAHTTESR1IDO1
SCHEMBL31074209 0.81 ADRA2C (0.50) TP53LMNAHTTIDO1TDO2
SCHEMBL3192743 0.81 ADRA2C (0.50) TP53LMNAHTTIDO1TDO2
SCHEMBL14677340 0.80 TP53 (0.61) TP53LMNAHTTESR1IDO1
SCHEMBL14981213 0.77 TP53 (0.57) TP53LMNAHTTESR1IDO1
SCHEMBL1143487 0.77 TP53 (0.62) TP53LMNAHTTESR1IDO1
SCHEMBL412260 0.77 AOC3 (0.43) LMNAHTTIDO1TDO2KMT2A
SCHEMBL11018686 0.76 LMNA (0.47) TP53LMNAHTTIDO1TDO2
Hydrochloric Acid SCHEMBL3447755 0.76 AOC3 (0.42) LMNAHTTIDO1TDO2KMT2A

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