SCHEMBL10069460

SCHEMBL10069460

CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
ALDH1A1 P00352 5/20 0.73
MEN1 O00255 5/20 0.73
KCNK9 Q9NPC2 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
PKM P14618 2/20 0.65
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
KCNK3 O14649 1/20 0.62
MAPT P10636 2/20 0.61
HSD17B10 Q99714 1/20 0.61
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL882790 0.92 KCNK9 (0.71) KMT2AALDH1A1MEN1KCNK9SMN1; SMN2
SCHEMBL10069480 0.87 KCNK9 (0.74) KMT2AALDH1A1MEN1KCNK9SMN1; SMN2
SCHEMBL10069965 0.85 KMT2A (1.00) KMT2AALDH1A1MEN1SMN1; SMN2TP53
SCHEMBL13753200 0.84 MTNR1B (0.75) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL10969527 0.82 KDM4E (0.72) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL13753202 0.81 L3MBTL1 (0.84) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL30605275 0.80 MTNR1B (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL25938755 0.80 MTNR1B (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL10069470 0.80 KCNK9 (0.81) KMT2AALDH1A1MEN1KCNK9SMN1; SMN2
SCHEMBL12228183 0.80 NPC1 (0.83) KMT2AALDH1A1MEN1KCNK9SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed