SCHEMBL9629161

SCHEMBL9629161

Nc1ccc([S+]([O-])c2cc(Cl)c(Cl)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PDE7A Q13946 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL29359062 0.84 TP53 (0.36) LMNAMEN1KMT2A
SCHEMBL9629034 0.81 TSHR (0.41) CYP3A4TSHRMAPTLMNAALOX12
SCHEMBL10536643 0.81 IDO1 (0.34)
SCHEMBL10539500 0.81 HSD17B10 (0.40) CYP3A4TSHRMAPTLMNACA1
SCHEMBL11659032 0.78 CYP3A4 (0.42) CYP3A4TSHRMAPTSMN1; SMN2CA1
SCHEMBL9808986 0.74 CYP3A4 (0.42) CYP3A4TSHRMAPTLMNASMN1; SMN2
SCHEMBL310582 0.73 MEN1 (0.50) CYP3A4TSHRMAPTLMNASMN1; SMN2
SCHEMBL10923598 0.73 MEN1 (0.50) CYP3A4TSHRMAPTLMNASMN1; SMN2
SCHEMBL4365392 0.68 CYP3A4 (0.47) CYP3A4TSHRMAPTLMNASMN1; SMN2
SCHEMBL11203891 0.68 CYP3A4 (0.36) CYP3A4TSHRMAPTALOX12SMN1; SMN2

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-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-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed