SCHEMBL18359310

SCHEMBL18359310

CC(C)CNc1cc(S(=O)(=O)Cl)c(Oc2ccc(F)cc2F)cc1C=N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.34
▸ BRD4 O60885 5/20 0.34
▸ MAPK14 Q16539 6/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ MAPK8 P45983 2/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ EPAS1 Q99814 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGER3 P43115 1/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ BRD3 Q15059 1/20 0.31
▸ BRDT Q58F21 1/20 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
SCHEMBL26051138 0.74 MAPK14 (0.56) BRD4MAPK14MEN1MAPTHPGD
SCHEMBL13924849 0.67 SLC6A4 (0.46) MAPK8
SCHEMBL2441454 0.66 MAPK14 (0.58) BRD4MAPK14MAPK11MAPK8MAPK9
SCHEMBL14838623 0.64 PKM (0.44) MEN1MAPTKMT2A
SCHEMBL20155404 0.61 TRPA1 (0.40) BRD4
SCHEMBL1149524 0.61 HSPB1 (0.59) PTGS2MAPK14EPAS1
SCHEMBL10456772 0.60 TRPA1 (0.56) EPAS1
SCHEMBL1127669 0.60 KDM4E (0.59) KMT2A
SCHEMBL24314192 0.59 TRPV4 (0.50) MEN1MAPTKMT2A
SCHEMBL1149522 0.59 HSPB1 (0.53) MAPK14EPAS1L3MBTL1

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
EP-3111937-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-01-04 — — EP disclosed
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