SCHEMBL10069451

SCHEMBL10069451

O=C(Nc1cccc(NC(=O)c2ccccc2Br)c1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
MEN1 O00255 3/20 0.79
KCNK3 O14649 5/20 0.72
KCNK9 Q9NPC2 5/20 0.72
TP53 P04637 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.68
F2R P25116 9/20 0.68
SIRT1 Q96EB6 1/20 0.64
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63

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
SCHEMBL23070709 0.89 KMT2A (0.68) KMT2AMEN1SMN1; SMN2F2RNPC1
SCHEMBL3663484 0.85 KMT2A (0.61) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL882734 0.85 KMT2A (0.80) KMT2AMEN1TP53SMN1; SMN2F2R
SCHEMBL2298254 0.85 KCNK3 (1.00) KMT2AMEN1KCNK3KCNK9TP53
SCHEMBL10069454 0.84 F2R (0.72) KMT2ASMN1; SMN2F2RNPC1RAB9A
SCHEMBL22362618 0.83 KCNK3 (0.71) KMT2AMEN1KCNK3KCNK9F2R
SCHEMBL22362609 0.83 F2R (0.63) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL16270629 0.82 KMT2A (0.58) KMT2AMEN1F2RNPC1RAB9A
SCHEMBL10069459 0.82 KMT2A (0.66) KMT2AMEN1KCNK3KCNK9SMN1; SMN2
SCHEMBL12310041 0.82 KMT2A (1.00) KMT2AMEN1KCNK3KCNK9TP53

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