SCHEMBL8967935

SCHEMBL8967935

O=C(Cl)CSc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LIG1 P18858 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 2/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NR2F2 P24468 1/20 0.32
PTPRG P23470 1/20 0.32

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
SCHEMBL5506194 0.83 LIG1 (0.47) MEN1KMT2ALIG1HSD17B10ALDH1A1
SCHEMBL6542305 0.79 TDP1 (0.57) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11870549 0.79 ALDH1A1 (0.47) CTSKTDP1MEN1KMT2AHSD17B10
SCHEMBL9660797 0.76 POLB (0.44) TDP1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL5439225 0.72 NPSR1 (0.46) TDP1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7821197 0.69 KMT2A (0.44) MEN1KMT2ALIG1HSD17B10ALDH1A1
SCHEMBL14613543 0.68 GRIN2D (0.36) CTSKTDP1MEN1KMT2ALIG1
SCHEMBL6803138 0.68 KMT2A (0.36) CTSKMEN1KMT2AALDH1A1GAA
SCHEMBL19982393 0.68 ALDH1A1 (0.46) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL11256483 0.68 SOD1 (0.43) CTSKMEN1KMT2AHSD17B10ALDH1A1

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-5559108-A ANTIBIOTICS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-09-24 US disclosed
EP-0699681-A1 Cephalosporin derivatives Bristol-Myers Company (US) 1996-03-06 EP disclosed