SCHEMBL2371118

SCHEMBL2371118

CC(O)Cc1ccc(N)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALOX12 P18054 3/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 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
SCHEMBL29634742 1.00 ALOX15 (0.39) ALOX15MEN1KMT2AALOX12TP53
SCHEMBL3021690 0.83 GABRA1 (0.48) ALOX15MEN1KMT2AALOX12TP53
SCHEMBL29793536 0.82 ALOX15 (0.36) ALOX15MEN1KMT2AALOX12TP53
SCHEMBL8575206 0.78 MAPK1 (0.41) ALOX15MEN1KMT2AALOX12TP53
SCHEMBL196800 0.77 TAAR1 (0.48) ESR1SLC6A2HTR2ALMNACYP2C9
SCHEMBL13536803 0.76 MAPT (0.55) ALOX15MEN1KMT2ACYP3A4TDP1
SCHEMBL1625919 0.76 ADRB2 (0.46) CYP3A4TDP1ALDH1A1RAB9ASLC6A2
SCHEMBL1625500 0.76 ADRB2 (0.46) CYP3A4TDP1ALDH1A1RAB9ASLC6A2
SCHEMBL1626101 0.76 ADRB2 (0.46) CYP3A4TDP1ALDH1A1RAB9ASLC6A2
SCHEMBL9176689 0.76 HTR2A (0.53) ALOX15MEN1KMT2AALOX12TP53

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
EP-2547315-A1 COLOURING COMPOSITION FOR KERATIN FIBRES Kao Germany GmbH (DE) 2013-01-23 EP disclosed
WO-2011113452-A1 COLOURING COMPOSITION FOR KERATIN FIBRES KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2011-09-22 WO disclosed