SCHEMBL26544746

SCHEMBL26544746

COc1c(S)cccc1-c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
RECQL P46063 2/20 0.37
HTT P42858 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL17194890 0.83 MAPK1 (0.43) TYK2MAPK1ALDH1A1POLBHPGD
SCHEMBL20150112 0.82 TYK2 (0.39) TYK2MAPK1ALDH1A1POLBHPGD
SCHEMBL24498473 0.81 TYK2 (0.41) TYK2MAPK1ALDH1A1POLBHPGD
SCHEMBL29739982 0.81 TYK2 (0.41) TYK2MAPK1ALDH1A1POLBHPGD
SCHEMBL18415101 0.79 FEN1 (0.43) TYK2MAPK1ALDH1A1POLBHPGD
SCHEMBL29237798 0.76 KDM4E (0.47) TYK2ALDH1A1POLBHSD17B10HTT
SCHEMBL30066169 0.76 P2RX7 (0.46) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL24181568 0.76 P2RX7 (0.46) ALDH1A1POLBHPGDNR4A1ESR2
SCHEMBL28838935 0.74 TYK2 (0.43) TYK2ALDH1A1POLBHPGDNR4A1
SCHEMBL26121949 0.74 TYK2 (0.54) TYK2ALDH1A1POLBHPGDNR4A1

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
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed