SCHEMBL2018114

SCHEMBL2018114

CC(N)c1ccc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
APLNR P35414 2/20 0.36
MAOA P21397 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR35 Q9HC97 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34

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
SCHEMBL13083762 0.86 GABRA1 (0.41) LMNAHTTKDM4EALDH1A1MAPT
SCHEMBL2015924 0.84 KDM4E (0.39) LMNATP53HTTKDM4EALDH1A1
SCHEMBL8204161 0.82 LMNA (0.42) LMNATP53HTTPDE2AALDH1A1
SCHEMBL31683735 0.80 LMNA (0.41) LMNATP53HTTPDE2AALDH1A1
SCHEMBL31683734 0.80 LMNA (0.41) LMNATP53HTTPDE2AALDH1A1
SCHEMBL8164587 0.80 LMNA (0.41) LMNATP53HTTPDE2AALDH1A1
SCHEMBL121332 0.80 LMNA (0.41) LMNATP53HTTPDE2AALDH1A1
SCHEMBL16793738 0.80 LMNA (0.41) LMNATP53HTTPDE2AALDH1A1
SCHEMBL2100743 0.80 GABRA1 (0.45) LMNATP53HTTPDE2AHTR2A
SCHEMBL22303989 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed