SCHEMBL10069443

SCHEMBL10069443

COc1ccc(C(=O)Nc2cccc(NC(=O)C3CCC3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 3/20 0.67
KCNK3 O14649 3/20 0.67
KMT2A Q03164 4/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 2/20 0.65
PKM P14618 1/20 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
MEN1 O00255 3/20 0.61
ACKR3 P25106 2/20 0.57
UBE2M P61081 1/20 0.55
DCUN1D1 Q96GG9 1/20 0.55

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
SCHEMBL10069463 0.97 KCNK9 (0.70) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL10069481 0.96 KCNK9 (0.73) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL10069469 0.95 KCNK9 (0.71) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL12302912 0.81 MTNR1A (0.73) KMT2ANPC1RAB9ATP53SMN1; SMN2
SCHEMBL25938747 0.80 MTNR1A (0.71) KMT2ANPC1RAB9ATP53SMN1; SMN2
SCHEMBL30605277 0.80 MTNR1A (0.71) KMT2ANPC1RAB9ATP53SMN1; SMN2
SCHEMBL12228183 0.80 NPC1 (0.83) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL10069470 0.80 KCNK9 (0.81) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL4256368 0.80 NPC1 (1.00) KCNK9KCNK3KMT2ANPC1RAB9A
SCHEMBL1337655 0.79 NPC1 (0.76) KCNK9KCNK3KMT2ANPC1RAB9A

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