SCHEMBL15775165

SCHEMBL15775165

c1ccc(NNCCN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.51
KDM1A O60341 10/20 0.50
SNCA P37840 1/20 0.50
PIM1 P11309 1/20 0.49
MAOA P21397 1/20 0.47
SLC22A1 O15245 1/20 0.46
PRNP P04156 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL15775278 0.79 MAPT (0.64) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL24980301 0.74 KDM1A (0.57) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL208025 0.71 PIM1 (0.79) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL24495341 0.71 KDM1A (0.51) MEN1KMT2ALMNAKDM1ASNCA
SCHEMBL29713602 0.71 KDM1A (0.51) MEN1KMT2ALMNAKDM1ASNCA
SCHEMBL3696468 0.70 SIGMAR1 (0.63) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL10052731 0.70 KDM1A (0.64) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL10655662 0.70 KMT2A (0.56) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL15775236 0.70 MEN1 (0.64) MEN1KMT2AMAPTLMNAKDM1A
SCHEMBL343282 0.70 KDM1A (0.65) MEN1KMT2AMAPTLMNAKDM1A

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