SCHEMBL20547797

SCHEMBL20547797

NC(=O)c1c(-c2ccc(C3CC3N)cc2)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.50
MAOB P27338 9/20 0.46
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 9/20 0.40
RCOR1 Q9UKL0 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2B6 P20813 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
KDM1B Q8NB78 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2A6 P11509 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL722165 0.80 BCAT2 (0.47) KDM4EMAPTHPGDCYP2C19CYP1A2
SCHEMBL7787418 0.76 HDAC8 (0.43) KDM4EHPGDCYP2C19CYP1A2CYP2C9
SCHEMBL9053835 0.74 BCAT2 (0.49) KDM4EMAPTHPGDCYP2C19CYP1A2
SCHEMBL3791252 0.68 KDM4E (0.40) KDM4EMAPTHPGDLMNAHSD17B10
SCHEMBL7325294 0.68 KMO (0.49) KDM4EHPGDCYP2C19CYP1A2HSD17B10
SCHEMBL6837382 0.67 KDM1A (1.00) KDM1AMAOBMAOARCOR1CYP2C19
SCHEMBL15137021 0.67 KDM1A (1.00) KDM1AMAOBMAOARCOR1CYP2C19
SCHEMBL526573 0.67 KDM1A (1.00) KDM1AMAOBMAOARCOR1CYP2C19
SCHEMBL23499962 0.67 NSD2 (0.46) KDM4EMAPTHPGDCYP2C19CYP1A2
SCHEMBL28539802 0.67 KDM4E (0.51) KDM4EMAPTHPGDCYP2C19CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018197583-A1 USE OF A COMBINATIONAL THERAPY OF LSD1 INHIBITORS WITH P21 ACTIVATORS IN THE TREATMENT OF CANCER ISTITUTO EUROPEO DI ONCOLOGIA (IT) 2018-11-01 WO disclosed