SCHEMBL3458722

SCHEMBL3458722

Cc1nc(I)sc1C(=O)NCc1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
SCD O00767 6/20 0.43
NPC1 O15118 3/20 0.43
KLKB1 P03952 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.42
CHRM4 P08173 3/20 0.42
SLC40A1 Q9NP59 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL3454547 0.81 SCD (0.57) KMT2ASCDCHRM4HTTMAPT
SCHEMBL3051532 0.80 SCD (0.64) SCDNPC1RAB9AHPGDCHRM4
SCHEMBL3455193 0.77 ATM (0.46) ATMMEN1KMT2AGAASCD
SCHEMBL3448031 0.77 SCD (0.55) MEN1KMT2ASCDNPC1RAB9A
SCHEMBL13541934 0.77 MEN1 (0.53) MEN1KMT2ASCDNPC1ALDH1A1
SCHEMBL12852314 0.76 ATM (0.84) ATMMEN1KMT2AGAAKLKB1
SCHEMBL3455092 0.75 PPARD (0.56) MEN1KMT2AGAASCDRAB9A
SCHEMBL13541845 0.74 PPARA (0.60) ATMSCDPKMHPGDCHRM4
SCHEMBL3448039 0.74 SCD (0.44) ATMMEN1KMT2ASCDNPC1
SCHEMBL3454417 0.73 SCD (0.59) SCDNPC1RAB9AHPGDALDH1A1

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-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed