SCHEMBL9629797

SCHEMBL9629797

Nc1ccc([S+]([O-])c2ccc(Cl)cc2N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
TP53 P04637 1/20 0.44
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 6/20 0.41
ALOX15 P16050 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.33

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
SCHEMBL9629038 0.87 ALDH1A1 (0.52) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL9629921 0.82 TSHR (0.47) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL11659032 0.81 CYP3A4 (0.42) TSHRTP53ITGB2ICAM1ITGAL
SCHEMBL3164872 0.79 TP53 (0.48) TSHRTP53ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9808917 0.75 HTR2B (0.41) TSHRTP53ITGB2ICAM1ITGAL
SCHEMBL30142219 0.72 CYP3A4 (0.48) TSHRITGB2ICAM1ITGALALDH1A1
SCHEMBL9935155 0.72 CYP3A4 (0.48) TSHRTP53ALDH1A1CYP3A4ALOX15
SCHEMBL6815115 0.72 CYP3A4 (0.48) TSHRITGB2ICAM1ITGALALDH1A1
SCHEMBL7860592 0.71 CYP3A4 (0.47) TSHRITGB2ICAM1ITGALALDH1A1
SCHEMBL2788773 0.68 CYP3A4 (0.43) TSHRITGB2ICAM1ITGALALDH1A1

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-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0296250-A1 POLYARYLENE SULFIDE AND PROCESS FOR ITS PRODUCTION IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1988-12-28 EP disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed