SCHEMBL9839963

SCHEMBL9839963

CC(=O)NC(=S)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
UBE2N P61088 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS2R38 P59533 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPL P05186 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL5365743 0.79 EPHX1 (0.55) EPHX1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL7975780 0.76 EPHX1 (0.32) EPHX1ALDH1A1GAALMNAUBE2N
SCHEMBL6971685 0.74 GAA (0.39) GAA
SCHEMBL5372384 0.73 CA1 (0.55) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL7283222 0.71
SCHEMBL19961 0.71
SCHEMBL6967216 0.69 POLB (0.42) ALDH1A1GAASMN1; SMN2KDM4EKMT2A
Ammonia Solution, Strong SCHEMBL27719143 0.69 MAPT (0.46) ALDH1A1GAALMNASMN1; SMN2KMT2A
SCHEMBL27638023 0.69 MAPT (0.46) ALDH1A1GAALMNASMN1; SMN2KMT2A
SCHEMBL9839959 0.68 EPHX1 (0.43) EPHX1ALDH1A1GAALMNAKDM4E

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
US-4995898-A Imidazole compounds and biocidal composition comprising the same for controlling harmful organisms ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-02-26 US disclosed