SCHEMBL11285291

SCHEMBL11285291

CNC(=S)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.73
NPC1 O15118 11/20 0.73
MAPT P10636 9/20 0.73
ALDH1A1 P00352 9/20 0.73
SMN1; SMN2 Q16637 6/20 0.73
GAA P10253 5/20 0.73
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALOX12 P18054 4/20 0.58
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL6677954 0.83 CYP1A2 (0.70) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL20886106 0.82 ALDH1A1 (0.59) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL14350873 0.80 NPC1 (0.73) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL788995 0.79 SMN1; SMN2 (0.81) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL14451161 0.79 MAPT (0.72) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8188470 0.78 NPC1 (0.66) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1147541 0.76 CYP1A2 (0.59) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5861384 0.76 CYP1A2 (1.00) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL24477522 0.75 SMN1; SMN2 (0.73) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL14451178 0.75 MAPT (0.63) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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-4346088-A ANTILIPEMICS HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-24 US disclosed