SCHEMBL20237367

SCHEMBL20237367

C=CCc1cc(Cn2c(=S)oc3ccccc32)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.46
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL9447682 0.79 MIF (0.48) MIFMEN1KMT2ADUSP3PTPN11
SCHEMBL9694765 0.78 ALOX5 (0.42) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL17156089 0.78 MIF (0.49) MIFMEN1KMT2ADUSP3PTPN11
SCHEMBL17156172 0.76 MIF (0.46) MIFMEN1KMT2ADUSP3PTPN11
SCHEMBL18418411 0.74 MIF (0.58) MIFMEN1KMT2ADUSP3PTPN11
SCHEMBL12376844 0.73 MIF (0.55) MIFMEN1KMT2APOLBMAPT
SCHEMBL18421326 0.72 MIF (0.50) MIFMEN1KMT2APOLBMAPT
SCHEMBL18418413 0.70 MIF (0.69) MIFMEN1KMT2AMAPTALDH1A1
SCHEMBL17156221 0.70 MIF (0.68) MIFPOLBMAPTALDH1A1MAPK1
SCHEMBL9694937 0.70 ALOX5 (0.37) ALOX5PTGS1PTGS2MEN1KMT2A

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-2929882-B1 MIF inhibitors MIFCARE (FR) 2018-06-13 EP claimed