SCHEMBL6576340

SCHEMBL6576340

Nc1ccccc1-c1c(O)ccc(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
MCL1 Q07820 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
CSNK1G1 Q9HCP0 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 2/20 0.53
PABPC1 P11940 1/20 0.53
BLM P54132 1/20 0.53
PLEC Q15149 1/20 0.53
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAOA P21397 4/20 0.46
MAOB P27338 1/20 0.46
ALOX15 P16050 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43

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
SCHEMBL29963645 0.88 SMN1; SMN2 (0.53) MEN1KMT2APOLBMCL1TDP1
SCHEMBL7465488 0.88 SMN1; SMN2 (0.53) MEN1KMT2APOLBMCL1TDP1
SCHEMBL28942714 0.82 CSNK2A2 (0.56) MEN1KMT2APOLBMCL1TDP1
SCHEMBL29660908 0.82 CSNK2A2 (0.56) MEN1KMT2APOLBMCL1TDP1
SCHEMBL2938263 0.78 ALOX15 (0.54) MEN1KMT2APOLBMCL1TDP1
Hydrochloric Acid SCHEMBL2936725 0.77 ALOX15 (0.52) MEN1KMT2APOLBMCL1TDP1
SCHEMBL16962792 0.77 HSD17B10 (0.50) MEN1KMT2APOLBMCL1TDP1
SCHEMBL498128 0.76 MEN1 (0.64) MEN1KMT2APOLBMCL1TDP1
SCHEMBL15399895 0.75 NSD2 (0.50) MEN1KMT2APOLBMCL1TDP1
SCHEMBL6579157 0.74 ALDH1A1 (0.67) MEN1KMT2ATDP1CSNK1A1CSNK1D

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
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP claimed