SCHEMBL9325902

SCHEMBL9325902

O=C1c2c(ccc3ccccc23)SCC1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
CYP19A1 P11511 1/20 0.38
DNMT1 P26358 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
PAX8 Q06710 1/20 0.34
WDR5 P61964 1/20 0.34
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPRT1 P00492 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL20113277 0.72 CYP19A1 (0.43) CES1CYP19A1DNMT1ALDH1A1LMNA
SCHEMBL87603 0.71 DNMT1 (0.42) CES1CYP19A1DNMT1ALDH1A1MEN1
SCHEMBL12031024 0.70 CES1 (0.39) CES1CYP19A1DNMT1ALDH1A1LMNA
SCHEMBL9094355 0.69 S100A4 (0.35) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL86218 0.69 ALDH1A1 (0.50) CES1DNMT1ALDH1A1MEN1KMT2A
SCHEMBL7912378 0.67 MAPT (0.39) CES1CYP19A1DNMT1ALDH1A1MEN1
SCHEMBL13889246 0.65 ALDH1A1 (0.40) CES1DNMT1ALDH1A1MEN1KMT2A
SCHEMBL17875144 0.65 ALDH1A1 (0.40) CES1DNMT1ALDH1A1MEN1KMT2A
SCHEMBL18059289 0.64 ANPEP (0.41) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL18533303 0.64 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNATDP1

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-5347012-A Naphthothiopyranone derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-09-13 US disclosed
EP-0535232-A1 NAPHTHOTHIOPYRANONE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-04-07 EP disclosed