SCHEMBL10716495

SCHEMBL10716495

O=S(=O)(C(=CNc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ SLC22A12 Q96S37 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCR1 P32246 1/20 0.38

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
SCHEMBL10716561 0.77 CASP3 (0.52) GAAKMT2ALMNAPKMHPGD
SCHEMBL10717698 0.73 MAPT (0.72) GAAKMT2ALMNAPKMMAPT
SCHEMBL11563623 0.72 PKM (0.46) GAAKMT2ALMNAPKMHPGD
SCHEMBL1465187 0.69 CNR2 (0.65) GAAKMT2AGRIK1CNR1
SCHEMBL28234385 0.68 KDM4E (0.48) GAAKMT2AMAPTGRIK1KDM4E
SCHEMBL10725846 0.68 ALDH1A1 (0.54) GAAKMT2ALMNAPKMMAPT
SCHEMBL10718981 0.67 ALDH1A1 (0.43) GAAKMT2ALMNAMAPTHTT
SCHEMBL10726650 0.67 MEN1 (0.53) GAAKMT2ALMNAMAPTKDM4E
SCHEMBL28312427 0.66 HSD11B1 (0.61) KMT2ASLC22A12
SCHEMBL2096095 0.66 POLB (0.53) GAAKMT2AMAPTSLC22A12KDM4E

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-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
Send feedback