SCHEMBL9754407

SCHEMBL9754407

CSc1ccccc1/C=N/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL9754412 1.00 SIRT2 (0.46) SIRT2ALDH1A1KDM4EGLAL3MBTL1
SCHEMBL14337060 0.84 SIRT2 (0.51) SIRT2ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL18395502 0.80 SIRT2 (0.46) SIRT2ALDH1A1KDM4EGLAL3MBTL1
SCHEMBL18395501 0.80 SIRT2 (0.46) SIRT2ALDH1A1KDM4EGLAL3MBTL1
SCHEMBL1814856 0.80 ALDH1A1 (0.42) SIRT2ALDH1A1KDM4EGLAL3MBTL1
SCHEMBL23229108 0.78 ALOX5 (0.40) ALDH1A1KDM4EMAPTCYP1A2MEN1
SCHEMBL3260265 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTALOX5
SCHEMBL5241647 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTALOX5
SCHEMBL10075899 0.74 CA12 (0.52) ALDH1A1KDM4ECA1CA2CA9
SCHEMBL9959739 0.74 CA12 (0.52) ALDH1A1KDM4ECA1CA2CA9

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-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed