SCHEMBL7402152

SCHEMBL7402152

Cc1ccc(Br)c(Cc2ccccc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 3/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7404074 0.83 LDHA (0.43) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL6068448 0.78 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL21396290 0.77 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL7323211 0.76 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL26390430 0.76 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL5935183 0.75 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL31636376 0.75 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL10760609 0.74 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL3981567 0.74 RAB9A (0.49) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL8665006 0.74 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765340-B1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2000-08-30 EP disclosed
US-5658939-A PREVENTION THROMBOSIS IN MAMMALS CORVAS INTERNATIONAL INC. (US) 1997-08-19 US disclosed
EP-0765340-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995028420-A1 METHIONINE SULFONE AND S-SUBSTITUTED CYSTEINE SULFONE DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-10-26 WO disclosed