SCHEMBL8442976

SCHEMBL8442976

O=C(O)C(Oc1ccccc1)SCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP2 P08253 11/20 0.47
MMP13 P45452 6/20 0.47
ADAMTS4 O75173 2/20 0.47
MMP14 P50281 2/20 0.47
ADAMTS5 Q9UNA0 2/20 0.47
SGMS1 Q86VZ5 1/20 0.45
TBXA2R P21731 1/20 0.45
MMP3 P08254 4/20 0.44
MMP1 P03956 4/20 0.44
MMP7 P09237 3/20 0.44
MMP9 P14780 3/20 0.44
MEP1B Q16820 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43

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
SCHEMBL8442525 0.91 TBXA2R (0.52) ALDH1A1PKMMMP2MMP13ADAMTS4
SCHEMBL8440583 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APKML3MBTL1
SCHEMBL8441478 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMMP2MMP13
SCHEMBL8437957 0.88 MEN1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1TBXA2R
SCHEMBL8440900 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APKMMMP2
SCHEMBL8438766 0.85 LMNA (0.53) ALDH1A1MEN1KMT2APKML3MBTL1
SCHEMBL8437796 0.85 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATBXA2RGAA
SCHEMBL8440909 0.81 TBXAS1 (0.48) TBXA2R
SCHEMBL8441437 0.81 TBXA2R (0.52) ALDH1A1MEN1KMT2APKML3MBTL1
SCHEMBL8443153 0.81 MEP1B (0.47) ALDH1A1PKMMMP2MMP13ADAMTS4

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed