SCHEMBL9441972

SCHEMBL9441972

O=C(O)c1cc(S)c2cc(Cl)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
HPGD P15428 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 4/20 0.43
FABP4 P15090 4/20 0.43
FABP3 P05413 3/20 0.43
FABP5 Q01469 3/20 0.41
GAA P10253 1/20 0.41
IGFBP3 P17936 1/20 0.41
MAPT P10636 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
SCHEMBL8337206 0.89 DHODH (0.43) ALDH1A1CYP2C9PTGESALOX5HPGD
Hydrochloric Acid SCHEMBL5410407 0.87 DHODH (0.42) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL11668861 0.81 ALDH1A1 (0.65) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL1305232 0.81 ALDH1A1 (0.49) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL30120641 0.81 ALDH1A1 (0.65) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL9441952 0.80 DHODH (0.44) ALDH1A1DHODHGAAALOX15
SCHEMBL9441954 0.80 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10L3MBTL1POLB
SCHEMBL28071570 0.78 ALDH1A1 (0.52) ALDH1A1CYP2C9PTGESALOX5HPGD
SCHEMBL14578175 0.77 ALOX15 (0.58) ALDH1A1HPGDHSD17B10POLBTDP1
SCHEMBL7650669 0.74 MAPK1 (0.62) ALDH1A1CYP2C9PTGESALOX5HPGD

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
US-5250541-A Neurological disorders FIDIA S.P.A. (IT) 1993-10-05 US disclosed
WO-1991001973-A1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA S.P.A. (IT) 1991-02-21 WO disclosed