SCHEMBL10069969

SCHEMBL10069969

CCC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
RAB9A P51151 2/20 0.64
MEN1 O00255 8/20 0.63
TP53 P04637 4/20 0.63
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50
F2R P25116 1/20 0.49

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
SCHEMBL10069966 0.86 SMN1; SMN2 (0.77) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL21282751 0.81 KMT2A (0.59) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL10069964 0.81 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL10069979 0.81 F2R (0.76) KMT2ASMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL10069980 0.80 KMT2A (0.73) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL10069967 0.78 KMT2A (0.85) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL12310041 0.78 KMT2A (1.00) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL21449753 0.78 KMT2A (0.70) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL10069965 0.76 KMT2A (1.00) KMT2ASMN1; SMN2RAB9AMEN1TP53
SCHEMBL13515716 0.76 ALDH1A1 (0.68) KMT2ASMN1; SMN2RAB9AMEN1ALDH1A1

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