SCHEMBL15775236

SCHEMBL15775236

O=C(NCCCN1c2ccccc2Sc2ccccc21)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.54
EPHX1 P07099 4/20 0.52
KDM4E B2RXH2 1/20 0.52
BCHE P06276 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KDM1A O60341 2/20 0.51
PTGS2 P35354 2/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL10655662 0.84 KMT2A (0.56) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL15775278 0.82 MAPT (0.64) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2446111 0.76 EPHX1 (0.77) MEN1KMT2ALMNAEPHX1KDM4E
SCHEMBL14697664 0.75 LMNA (0.60) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL19745686 0.75 PTGS2 (0.56) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL9547553 0.75 EPHX1 (0.83) MEN1KMT2ALMNAEPHX1KDM4E
SCHEMBL19420655 0.75 EPHX1 (0.83) MEN1KMT2ALMNAEPHX1KDM4E
SCHEMBL14500260 0.75 PKM (0.76) MEN1KMT2AMAPTLMNAEPHX1
SCHEMBL502507 0.74 MEN1 (0.81) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL11051077 0.73 EPHX1 (0.70) MEN1KMT2ALMNAEPHX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014086478-A1 INHIBITORS OF MALT1 PROTEASE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-12 WO claimed
WO-2014086478-A1 INHIBITORS OF MALT1 PROTEASE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-12 WO disclosed
WO-2014086478-A1 INHIBITORS OF MALT1 PROTEASE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-12 WO disclosed