SCHEMBL4552025

SCHEMBL4552025

NOCOC(=O)n1cnc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.33
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.33
PRPS1 P60891 1/20 0.33
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNMA1 Q12791 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN9A Q15858 1/20 0.32
THRB P10828 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL16822326 0.75 KMT2A (0.49) KMT2AGFERALDH1A1LMNATSHR
SCHEMBL19848406 0.74 KMT2A (0.51) KMT2AGFERALDH1A1LMNACYP3A4
SCHEMBL19911432 0.72 KMT2A (0.46) KMT2AGFERALDH1A1LMNACYP3A4
SCHEMBL24110391 0.70 GFER (0.45) KMT2AGFERALDH1A1LMNACYP3A4
SCHEMBL28794558 0.67 ASAH1 (0.62) KMT2AGFERLMNAMAPK1
SCHEMBL29795679 0.67 ASAH1 (0.62) KMT2AGFERLMNAMAPK1
SCHEMBL29145084 0.66 ASAH1 (0.47) KMT2AALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL29795660 0.65 ASAH1 (0.62) ALDH1A1LMNACYP3A4THRB
SCHEMBL28945618 0.65 ASAH1 (0.62) ALDH1A1LMNACYP3A4THRB
SCHEMBL2034906 0.65 SIK1 (0.42) KMT2AALDH1A1LMNATSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed