SCHEMBL20979632

SCHEMBL20979632

C/C(=N\NC(=O)c1cccc(SN2CCOCC2)c1)c1cccc(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
CYP3A4 P08684 2/20 0.49
BRD4 O60885 1/20 0.49
CYP2C9 P11712 1/20 0.49
BRD2 P25440 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTOR P42345 3/20 0.48
MAPT P10636 7/20 0.46
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL20979477 0.87 KDM1A (0.59) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979705 0.86 KDM1A (0.60) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979576 0.83 KDM1A (0.72) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979521 0.83 KDM1A (0.52) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979520 0.82 KDM1A (0.49) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL15772600 0.81 KDM1A (0.75) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL14712680 0.81 KDM1A (0.75) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL15772602 0.81 KDM1A (0.75) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979457 0.80 KDM1A (0.55) KDM1ACYP3A4BRD4CYP2C9BRD2
SCHEMBL20979463 0.80 MAPT (0.48) KDM1ACYP3A4BRD4CYP2C9BRD2

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