SCHEMBL15057749

SCHEMBL15057749

N=C(NOC(=O)ONC(=N)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
FADS1 O60427 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL2287569 0.82 MEN1 (0.64) MEN1KMT2AMAPTLMNAHTT
Hydrochloric Acid SCHEMBL15527640 0.81 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4108214 0.81 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL3969793 0.80 NPC1 (0.55) MEN1KMT2AMAPTLMNAHTT
SCHEMBL13584733 0.79 MEN1 (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL3723958 0.79 NAPRT (0.52) KMT2AMAPTRAB9ANPC1F13A1
SCHEMBL29518687 0.79 MEN1 (0.60) MEN1KMT2AMAPTLMNAHTT
Hydrochloric Acid SCHEMBL13584417 0.78 MEN1 (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1229884 0.77 HTR3E (0.54) MEN1KMT2AMAPTLMNAHTT
Bicarbonate SCHEMBL15057748 0.77 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT

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-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed