SCHEMBL9629049

SCHEMBL9629049

CNC(=S)c1ccc(C(=S)NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ADAM17 P78536 1/20 0.35
PLK1 P53350 2/20 0.34

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
SCHEMBL5914768 0.87 MEN1 (0.43) GAAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL20832803 0.87 TPMT (0.41) GAAALDH1A1L3MBTL1HDAC2HDAC8
SCHEMBL24484317 0.87 ALDH1A1 (0.52) GAAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL1379363 0.86 NPC1 (0.52) GAAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL28314915 0.83 SMN1; SMN2 (0.48) GAAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL6971685 0.82 GAA (0.39) GAARAB9ANPC1HPGD
SCHEMBL1687162 0.82 SMN1; SMN2 (0.50) GAAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19886989 0.82 GAA (0.36) GAAALDH1A1L3MBTL1HDAC8HDAC6
SCHEMBL22227929 0.78 ALDH1A1 (0.51) GAAALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL13680707 0.74 MAPT (0.40) GAAALDH1A1L3MBTL1RAB9ANPC1

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-5147719-A Coatings, impact strength PHILLIPS PETROLEUM COMPANY (US) 1992-09-15 US disclosed