SCHEMBL15040698

SCHEMBL15040698

O=C(O)C1Nc2cccc3cccc(c23)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 17/20 0.55
KMT2A Q03164 17/20 0.55
NPC1 O15118 4/20 0.55
GAA P10253 10/20 0.50
AR P10275 2/20 0.50
IDE P14735 1/20 0.50
MAPT P10636 8/20 0.49
ALDH1A1 P00352 8/20 0.49
HPGD P15428 5/20 0.49
ALOX12 P18054 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
RAB9A P51151 4/20 0.49
ALOX15 P16050 4/20 0.49
MCL1 Q07820 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL3044369 0.80 MAPT (0.50) MEN1KMT2ANPC1GAAMAPT
SCHEMBL16535647 0.74 MEN1 (0.50) MEN1KMT2ANPC1GAAAR
SCHEMBL14709706 0.73 MEN1 (0.69) MEN1KMT2ANPC1GAAAR
SCHEMBL15040890 0.71 MEN1 (0.55) MEN1KMT2ANPC1GAAAR
SCHEMBL13330038 0.71 MEN1 (0.55) MEN1KMT2ANPC1GAAAR
SCHEMBL10078299 0.71 MEN1 (0.55) MEN1KMT2ANPC1GAAAR
SCHEMBL13035699 0.71 MEN1 (1.00) MEN1KMT2ANPC1GAAAR
SCHEMBL27894628 0.71 MEN1 (0.50) MEN1KMT2ANPC1GAAAR
SCHEMBL13035675 0.70 MEN1 (0.84) MEN1KMT2ANPC1GAAAR
SCHEMBL8143860 0.69 TNKS2 (0.56) MEN1KMT2AGAAMAPTALDH1A1

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-2013087634-A2 OXIDATIVE DYEING COMPOSITION COMPRISING A SPECIFIC PERIMIDINE COUPLER IN A MEDIUM WITH HIGH FATTY SUBSTANCE CONTENT, METHODS AND SUITABLE DEVICE L'OREAL (FR) 2013-06-20 WO disclosed