SCHEMBL15775178

SCHEMBL15775178

O=CCN1c2ccccc2Sc2cccc(O)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
BCHE P06276 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.39
IDE P14735 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM1A O60341 1/20 0.39
PIM1 P11309 1/20 0.39
PDF Q9HBH1 1/20 0.39

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
SCHEMBL4778811 0.82 LMNA (0.51) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL15775866 0.79 MEN1 (0.55) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL9231844 0.75 PIM1 (0.48) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL18640386 0.74 PIM1 (0.43) MEN1KMT2ALMNAPTGS1PTGS2
Ammonia Solution, Strong SCHEMBL22186858 0.73 PTGS1 (0.49) MEN1KMT2ALMNAPTGS1PTGS2
SCHEMBL7067788 0.72 CYP2D6 (0.72) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5805862 0.70 NOX1 (0.56) MEN1KMT2ANOX1BCHESLC6A3
SCHEMBL4779900 0.70 BCHE (0.70) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL17079876 0.70 KDM1A (0.74) MEN1KMT2ALMNAPTGS1MAPT
SCHEMBL1458306 0.69 CYP2D6 (0.74) MEN1KMT2ALMNAPTGS1MAPT

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
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