SCHEMBL17604573

SCHEMBL17604573

Cc1nc(-c2cc(C=C(C#N)S(=O)(=O)c3ccccc3)ccn2)c(-c2ccc(F)cc2OCC2CC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4C Q9H3R0 4/20 0.41
▸ KDM5A P29375 2/20 0.41
▸ PHF8 Q9UPP1 5/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ KDM2B Q8NHM5 2/20 0.37
▸ HPGD P15428 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL17604623 0.83 KDM4C (0.62) PKML3MBTL1KDM4CKDM5APHF8
SCHEMBL17604625 0.83 KDM4C (0.62) PKML3MBTL1KDM4CKDM5APHF8
SCHEMBL17604535 0.81 KDM4C (0.46) KDM4CKDM5APHF8KDM2BCYP2C9
SCHEMBL17604575 0.80 PKM (0.42) PKML3MBTL1KDM4CKDM5APHF8
SCHEMBL16095596 0.77 KDM4C (0.65) KDM4CKDM5APHF8KDM2BCYP2C9
SCHEMBL17604576 0.76 KDM4C (0.47) KDM4CKDM5APHF8KDM2BMAPK14
SCHEMBL16095268 0.71 KDM4C (0.45) L3MBTL1KDM4CMAPK14
SCHEMBL16095130 0.70 KDM4C (0.69) KDM4CKDM5APHF8KDM2B
SCHEMBL16102461 0.67 KDM4C (0.42) KDM4CPHF8MAPK14
SCHEMBL16095350 0.67 KDM4C (0.67) KDM4CKDM5AKDM2BMAPK14

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
EP-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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