SCHEMBL19012000

SCHEMBL19012000

N#CCOc1ccc(OC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH2 P05091 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.34
FFAR1 O14842 1/20 0.34
NQO1 P15559 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GSTP1 P09211 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
SCHEMBL3472112 0.82 SYK (0.43) SYKGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL24787 0.80 CA1 (0.32) KDM4EALDH1A1HPGDMAOBCA12
SCHEMBL6574222 0.79 MAOB (0.53) ALDH1A1MAOBCA12CA1CA2
SCHEMBL3357599 0.77 ALDH1A1 (0.46) SYKGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL481286 0.77 CA12 (0.50) GAASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL3251102 0.77 SYK (0.46) SYKGAAALDH1A1L3MBTL1MAOB
SCHEMBL1785520 0.77 MAOB (0.43) SYKGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL2061077 0.77 TDP1 (0.52) SYKGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL187687 0.77 ALDH3A1 (0.50) SYKKDM4EALDH1A1L3MBTL1MAOB
SCHEMBL4652388 0.77 APP (0.50) SYKGAASMN1; SMN2KDM4EALDH1A1

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
EP-3009433-B1 2-PHENYL-1,3-OXAZOLE AND 5-PHENYL-1,2,4-OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES DAIICHI SANKYO CO LTD (JP) 2017-06-21 EP disclosed