SCHEMBL10069964

SCHEMBL10069964

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 1.00
KMT2A Q03164 6/20 1.00
ALDH1A1 P00352 5/20 0.76
MEN1 O00255 4/20 0.76
RAB9A P51151 7/20 0.71
TP53 P04637 3/20 0.70
GAA P10253 1/20 0.68
F2R P25116 1/20 0.64
NPC1 O15118 5/20 0.64
MAPK1 P28482 2/20 0.64
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.60
NR4A1 P22736 1/20 0.60
MAPT P10636 2/20 0.60
HSP90AA1 P07900 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL10069967 0.89 KMT2A (0.85) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL10069965 0.86 KMT2A (1.00) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL10069980 0.85 KMT2A (0.73) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL10069480 0.83 KCNK9 (0.74) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL12310041 0.83 KMT2A (1.00) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL21449753 0.82 KMT2A (0.70) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL10970617 0.82 RAB9A (0.85) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL5690831 0.81 GAA (1.00) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL10069969 0.81 KMT2A (0.67) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A
SCHEMBL26835738 0.80 RAB9A (0.72) SMN1; SMN2KMT2AALDH1A1MEN1RAB9A

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