SCHEMBL17010335

SCHEMBL17010335

CC(=O)Cc1ncccc1SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 5/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTPRC P08575 1/20 0.41
HTT P42858 2/20 0.40
PSMD14 O00487 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 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
SCHEMBL20749082 0.82 HSD17B10 (0.41) ALDH1A1L3MBTL1HSD17B10KMT2ASMN1; SMN2
SCHEMBL24058160 0.77 POLB (0.53) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL27491202 0.77 HSD17B10 (0.53) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL1901857 0.77 HSD17B10 (0.53) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL3804451 0.76 ALDH1A1 (0.59) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
Hydrochloric Acid SCHEMBL30023826 0.76 POLB (0.51) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
Hydrochloric Acid SCHEMBL25232255 0.76 POLB (0.51) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL17022254 0.74 ALDH1A1 (0.50) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL1828531 0.73 HSD17B10 (0.56) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10
SCHEMBL13058362 0.73 L3MBTL1 (0.64) ALDH1A1CYP2C9L3MBTL1PKMHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015123228-A1 PROCESSES FOR THE SYNTHESIS OF INTERMEDIATES OF THE HERBICIDE FLUCETOSULFURON FMC CORPORATION (US) 2015-08-20 WO claimed
WO-2015123228-A1 PROCESSES FOR THE SYNTHESIS OF INTERMEDIATES OF THE HERBICIDE FLUCETOSULFURON FMC CORPORATION (US) 2015-08-20 WO disclosed