SCHEMBL6993704

SCHEMBL6993704

Cc1ccc(S(=O)(=O)OCCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ESR1 P03372 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3775170 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL30408858 0.91 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL21344358 0.82 CA1 (0.39) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL31490117 0.82 CA1 (0.39) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL2798211 0.82 TAAR1 (0.53) SMN1; SMN2TAAR1L3MBTL1
SCHEMBL18289524 0.81 CA1 (0.50) MEN1KMT2ANPC1ALDH1A1
SCHEMBL6906905 0.81 CA1 (0.50) MEN1KMT2ANPC1ALDH1A1
SCHEMBL2033633 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL8207005 0.79 CA1 (0.41) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL18289526 0.79 CYP19A1 (0.50) MEN1KMT2AESR1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed