Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL20529675

N.Nc1ccc(Br)cc1CC(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GPR35 Q9HC97 2/20 0.34
DPP4 P27487 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 1/20 0.32
IDO1 P14902 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL28635550 0.83 KDM4E (0.35) KDM4EGLAGPR35DPP4MAPT
SCHEMBL10409265 0.78 KDM4E (0.37) KDM4EGLADPP4MAPTALDH1A1
SCHEMBL24625576 0.78 CASP1 (0.33) GLAMAPTPOLBALDH1A1MEN1
SCHEMBL26050621 0.77 CYP2A6 (0.40) DPP4
SCHEMBL26931423 0.76 DPP4 (0.49) DPP4POLBALDH1A1MEN1KMT2A
SCHEMBL30682755 0.76 DPP4 (0.49) DPP4POLBALDH1A1MEN1KMT2A
SCHEMBL31310646 0.76 KDM4E (0.39) KDM4EGLAMAPTPOLBPLAU
SCHEMBL19970560 0.75 KDM4E (0.41) KDM4EGLAGPR35MAPTPOLB
SCHEMBL2262110 0.74 KDM4E (0.34) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL423154 0.73 CYP2A6 (0.46) KDM4EGLAGPR35MAPTPOLB

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-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 WO disclosed