SCHEMBL1808115

SCHEMBL1808115

COC(=O)Nc1nc(C(=O)O)cs1.COC(=O)c1csc(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 1/20 0.42
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL1808047 0.86 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1MEN1ALDH1A1
SCHEMBL230453 0.82 MAPT (0.65) RAB9ANPC1MEN1ALDH1A1MAPT
Bromide SCHEMBL5929889 0.80 MAPT (0.63) L3MBTL1RAB9ANPC1MEN1ALDH1A1
SCHEMBL28205325 0.79 L3MBTL1 (0.59) L3MBTL1RAB9ANPC1MEN1ALDH1A1
SCHEMBL94064 0.75
SCHEMBL3382178 0.74 CYP1A2 (0.48) L3MBTL1RAB9ANPC1MAPTCYP1A2
Bromide SCHEMBL1073577 0.73 ALDH1A1 (0.51) L3MBTL1RAB9ANPC1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL27578394 0.73 ALDH1A1 (0.56) L3MBTL1RAB9ANPC1MEN1ALDH1A1
SCHEMBL6707340 0.73 L3MBTL1 (0.51) L3MBTL1RAB9ANPC1CYP1A2CYP2C19
SCHEMBL13151287 0.73 CYP1A2 (0.48) L3MBTL1RAB9ANPC1MEN1ALDH1A1

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-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed