SCHEMBL23969685

SCHEMBL23969685

CCc1cccc(-c2ccsc2C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 4/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL27392137 0.89 CYP4F2 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28208998 0.83 HSD17B10 (0.61) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6229196 0.81 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31092514 0.75 HSD17B10 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8439989 0.75 PKM (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27691396 0.74 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8791515 0.74 KDM4E (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17859663 0.74 MAPT (0.73) ALDH1A1KDM4EPOLBKMT2AMAPK8
SCHEMBL27826834 0.73 ABL1 (0.51) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL20262093 0.73 PTGS1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3

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-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed