SCHEMBL7477310

SCHEMBL7477310

Nc1nnc(SC(c2ccccc2)C2CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GRIN2B Q13224 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN2A Q12879 1/20 0.39
FBP1 P09467 1/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 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
SCHEMBL7484584 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL7479429 0.72 HPGD (0.49) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL7487235 0.70 HPGD (0.47) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL11389834 0.66 ALDH1A1 (0.49) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL9530474 0.65 MAPK1 (0.53) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL11784164 0.64 FBP1 (0.69) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL7483635 0.64 HSD17B10 (0.47) HPGDHSD17B10ALDH1A1KMT2AGRIN2B
SCHEMBL8779356 0.62 FBP1 (0.56) HPGDHSD17B10ALDH1A1SMN1; SMN2FBP1
SCHEMBL3906094 0.62 MAPK1 (0.62) HPGDHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5945366 0.61 IDO1 (0.54) HSD17B10MAPK1

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-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed