SCHEMBL10069463

SCHEMBL10069463

COc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 3/20 0.70
KCNK3 O14649 3/20 0.70
KMT2A Q03164 4/20 0.65
NPC1 O15118 2/20 0.65
TP53 P04637 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 2/20 0.65
PKM P14618 1/20 0.65
MEN1 O00255 3/20 0.65
ADORA3 P0DMS8 1/20 0.63
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ACKR3 P25106 2/20 0.60
NPSR1 Q6W5P4 1/20 0.58
F2R P25116 1/20 0.56

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
SCHEMBL10069481 0.99 KCNK9 (0.73) KCNK9KCNK3KMT2ANPC1TP53
SCHEMBL10069443 0.97 KCNK9 (0.67) KCNK9KCNK3KMT2ANPC1TP53
SCHEMBL10069469 0.95 KCNK9 (0.71) KCNK9KCNK3KMT2ANPC1TP53
SCHEMBL12302912 0.84 MTNR1A (0.73) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL30605277 0.83 MTNR1A (0.71) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL25938747 0.83 MTNR1A (0.71) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL5205624 0.81 NPC1 (0.69) KMT2ANPC1RAB9AMEN1
SCHEMBL12228183 0.80 NPC1 (0.83) KCNK9KCNK3KMT2ANPC1TP53
SCHEMBL10069470 0.80 KCNK9 (0.81) KCNK9KCNK3KMT2ANPC1TP53
SCHEMBL3188745 0.80 ENPP3 (0.69) KMT2ANPC1RAB9AMEN1

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