SCHEMBL9724381

SCHEMBL9724381

COc1ccc(CC(=O)Cl)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
STAT3 P40763 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
LMNA P02545 6/20 0.42
HTT P42858 3/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
CA5A P35218 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
LDHA P00338 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
SCHEMBL9548003 0.86 GAA (0.47) GAASMN1; SMN2STAT3ALDH1A1TDP1
SCHEMBL9724440 0.86 GAA (0.64) GAASMN1; SMN2STAT3ALDH1A1TDP1
SCHEMBL76377 0.82 LMNA (0.59) GAASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL3616256 0.79 ALDH1A1 (0.53) GAASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL3659918 0.79 GAA (0.50) GAASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL3225685 0.78 HTT (0.55) GAASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL1462899 0.78 HDAC1 (0.57) GAASMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL2405481 0.76 CCR5 (0.52) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL2391312 0.76 TSHR (0.73) GAAALDH1A1TDP1TSHRNFKB1
SCHEMBL9808605 0.75 PTGS1 (0.62) GAASMN1; SMN2ALDH1A1TDP1TSHR

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
US-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 US disclosed