SCHEMBL8895299

SCHEMBL8895299

CCCCOc1ccc(CCC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(CCCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXA2R P21731 3/20 0.44
TBXAS1 P24557 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
PLA2G4A P47712 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARA Q07869 1/20 0.42
CTDSP1 Q9GZU7 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
SCHEMBL8895446 0.98 MEN1 (0.46) MEN1KMT2ATBXA2RTBXAS1NPSR1
SCHEMBL8898394 0.97 MEN1 (0.45) MEN1KMT2ATBXA2RTBXAS1NPSR1
SCHEMBL8897707 0.92 NPSR1 (0.48) TBXA2RTBXAS1NPSR1L3MBTL1UTS2R
SCHEMBL8895481 0.92 KMT2A (0.47) MEN1KMT2AUTS2RMMP3MMP13
SCHEMBL8894975 0.91 NPSR1 (0.47) TBXA2RTBXAS1NPSR1L3MBTL1UTS2R
SCHEMBL8895978 0.91 S1PR1 (0.47) TBXA2RTBXAS1NPSR1L3MBTL1UTS2R
SCHEMBL8898267 0.91 S1PR1 (0.47) TBXA2RTBXAS1NPSR1L3MBTL1UTS2R
SCHEMBL8897143 0.90 KMT2A (0.45) MEN1KMT2AUTS2RMMP3MMP13
SCHEMBL8895718 0.90 ALDH1A1 (0.49) TBXA2RTBXAS1NPSR1UTS2RMMP13
SCHEMBL8895228 0.89 KMT2A (0.45) MEN1KMT2AUTS2RMMP3MMP13

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed