SCHEMBL11510404

SCHEMBL11510404

CCc1cc2c(c(N)c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.53
ALDH1A1 P00352 6/20 0.53
RAB9A P51151 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
HBB P68871 1/20 0.53
MAOA P21397 2/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 3/20 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
SCHEMBL27524824 0.89 MAPK1 (0.49) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL6682201 0.81 MAPK1 (0.64) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL18984665 0.78 MAOA (0.63) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL12593738 0.78 CYP1A1 (0.55) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL19096579 0.77 RAB9A (0.49) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11236910 0.77 RAB9A (0.67) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL3582220 0.77 FTO (0.60) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11327828 0.77 AURKA (0.56) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11120137 0.75 MCL1 (0.66) MAPK1ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL11356479 0.75 MAOA (0.55) MAPK1ALDH1A1RAB9AL3MBTL1NPC1

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
US-4170452-A Dye composition containing diphenylamine and polyhydroxybenzene L'OREAL (FR) 1979-10-09 US disclosed