SCHEMBL8375406

SCHEMBL8375406

COc1ccc(S([NH])(=O)=O)c(CC(=O)OC(C)(C)C)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
STING1 Q86WV6 1/20 0.33
PKM P14618 1/20 0.33
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA5A P35218 1/20 0.31
ALDH1A1 P00352 2/20 0.31
FABP4 P15090 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
STS P08842 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL8375402 0.84 CA5A (0.42) PKMCA5AALDH1A1FABP4L3MBTL1
SCHEMBL8377872 0.73 KMT2A (0.43) MTNR1AMTNR1BALDH1A1L3MBTL1CA1
SCHEMBL16410344 0.71 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1LMNA
SCHEMBL10728332 0.66 MTNR1A (0.74) MTNR1AMTNR1BALDH1A1LMNAHTT
SCHEMBL221652 0.66 MTNR1A (0.58) MTNR1AMTNR1BSTING1ALDH1A1LMNA
SCHEMBL5143612 0.65 MTNR1A (0.47) MTNR1AMTNR1BSTING1KDM4EALDH1A1
SCHEMBL28107338 0.65 MTNR1A (0.35) MTNR1AMTNR1BLMNAL3MBTL1GAA
SCHEMBL27365553 0.64 MTNR1A (0.59) MTNR1AMTNR1BKDM4ELMNAL3MBTL1
SCHEMBL7387678 0.64 ALDH1A1 (0.49) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL17772621 0.64 MTNR1A (0.33) MTNR1AMTNR1B

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-5861510-A Arylsulfonyl hydroxamic acid derivatives as MMP and TNF inhibitors PFIZER INC (US) 1999-01-19 US disclosed