SCHEMBL10069980

SCHEMBL10069980

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
MEN1 O00255 7/20 0.67
ALDH1A1 P00352 4/20 0.67
F2R P25116 2/20 0.67
RAB9A P51151 3/20 0.66
TP53 P04637 2/20 0.65
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
MAPK1 P28482 2/20 0.59
NPC1 O15118 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL10069964 0.85 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL378588 0.83 GAA (0.69) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL10069967 0.82 KMT2A (0.85) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL10069966 0.82 SMN1; SMN2 (0.77) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL874580 0.80 F2R (1.00) KMT2ASMN1; SMN2ALDH1A1F2RRAB9A
SCHEMBL10069965 0.80 KMT2A (1.00) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL10069969 0.80 KMT2A (0.67) KMT2ASMN1; SMN2MEN1ALDH1A1F2R
SCHEMBL12310041 0.79 KMT2A (1.00) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL7402722 0.79 PTPN1 (0.73) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL26835738 0.77 RAB9A (0.72) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A

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