SCHEMBL20979640

SCHEMBL20979640

CSc1cncc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.69
RAB9A P51151 6/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 2/20 0.46
BRD4 O60885 1/20 0.46
CYP2C9 P11712 1/20 0.46
BRD2 P25440 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14696963 0.88 KDM1A (0.76) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL14696964 0.88 KDM1A (0.76) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL14696962 0.88 KDM1A (0.76) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL20979635 0.84 KDM1A (0.72) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL20979702 0.83 KDM1A (0.59) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL20979559 0.83 KDM1A (0.64) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL20979540 0.83 KDM1A (0.60) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL15772714 0.82 KDM1A (1.00) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL14712665 0.82 KDM1A (1.00) KDM1ARAB9ANPC1MAPTHTT
SCHEMBL15772713 0.82 KDM1A (1.00) KDM1ARAB9ANPC1MAPTHTT

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