SCHEMBL17604575

SCHEMBL17604575

N#CC(=Cc1ccnc(-c2nc[nH]c2Cc2ccc(F)cc2OCC2CC2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NEK2 P51955 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4C Q9H3R0 2/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ PHF8 Q9UPP1 3/20 0.34
▸ LMNA P02545 2/20 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
SCHEMBL17604537 0.81 KDM4C (0.40) ALDH1A1KMT2AHPGDPOLBMEN1
SCHEMBL17604573 0.80 PKM (0.41) PKML3MBTL1NEK2ALDH1A1KDM4E
SCHEMBL17604623 0.79 KDM4C (0.62) PKML3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL17604625 0.79 KDM4C (0.62) PKML3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL16095598 0.78 KDM4C (0.56) KDM4CKDM5APHF8CYP2C9KDM2B
SCHEMBL17604578 0.76 KDM4C (0.40) KDM4CKDM5APHF8KDM2B
SCHEMBL16095270 0.71 KDM4C (0.44) KDM4C
SCHEMBL17604658 0.71 KDM4C (0.43) KDM4CKDM5APHF8KDM2B
SCHEMBL16095134 0.70 KDM4C (0.60) KDM4CKDM5APHF8KDM2B
SCHEMBL16095351 0.66 KDM4C (0.59) KDM4CKDM5APHF8KDM2B

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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