SCHEMBL20979639

SCHEMBL20979639

C/C(=N\NC(=O)c1cccc([S+]([O-])N2CCOCC2)c1)c1cc(Cl)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.58
BRD4 O60885 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
BRD2 P25440 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 6/20 0.46
HPGD P15428 1/20 0.46
MTOR P42345 3/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20979524 0.92 KDM1A (0.70) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL22213034 0.92 KDM1A (0.57) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL20979520 0.86 KDM1A (0.49) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL22213035 0.83 KDM1A (0.56) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL20979704 0.82 KDM1A (0.65) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL20979705 0.81 KDM1A (0.60) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL20979562 0.81 MAPT (0.47) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL20979470 0.80 KDM1A (0.57) KDM1ABRD4CYP3A4CYP2C9BRD2
SCHEMBL22213030 0.80 RAB9A (0.54) MAPTMTORKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15772810 0.80 KDM1A (0.86) KDM1ABRD4CYP3A4CYP2C9BRD2

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-2744330-B1 SUBSTITUTED (E)-N'-(1-PHENYLETHYLIDENE) BENZOHYDRAZIDE ANALOGS AS HISTONE DEMETHYLASE INHIITORS UNIV UTAH RES FOUND (US) 2020-07-15 EP disclosed
EP-3010915-B1 SUBSTITUTED (3-(5-CHLORO-2-HYDROXYPHENYL)-1-BENZOYL-1H-PYRAZOLE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2019-05-08 EP disclosed