SCHEMBL9848853

SCHEMBL9848853

COc1ccc(C(=O)Nc2cccc(O)c2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADORA1 P30542 1/20 0.61
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 4/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
PKM P14618 1/20 0.58
FADS1 O60427 1/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NLRP3 Q96P20 1/20 0.55
KCNK9 Q9NPC2 2/20 0.53
POLB P06746 2/20 0.53
KCNK3 O14649 1/20 0.53
KLKB1 P03952 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL11648261 0.86 NPC1 (0.68) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL22887206 0.84 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL26975749 0.84 NR1H4 (0.67) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL14372484 0.81 CA1 (0.62)
SCHEMBL12641799 0.81 NPC1 (0.66) MAOBADORA3ADORA1RAB9ANPC1
SCHEMBL11305192 0.80 KCNK3 (0.70) RAB9ASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL2272936 0.80 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5943889 0.79 ADORA3 (0.65) ADORA3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL9848839 0.79 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL13162010 0.79 BRAF (0.71) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1

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-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed