Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28826907

N.NC(=O)C(Cc1ccccc1)c1ccc(Br)cn1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
P4HTM Q9NXG6 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
MME P08473 2/20 0.39
CPA1 P15085 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38

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
SCHEMBL2762000 0.99 EPHX1 (0.54) EPHX1P4HTMMEN1KMT2ACYP1A2
SCHEMBL17479494 0.87 P4HTM (0.50) EPHX1P4HTMCYP1A2MMECPA1
Ammonia Solution, Strong SCHEMBL27723189 0.86 KMT2A (0.40) EPHX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17479462 0.86 P4HTM (0.49) EPHX1P4HTMMEN1KMT2ACYP1A2
Lithium SCHEMBL17479466 0.86 P4HTM (0.49) EPHX1P4HTMMEN1KMT2ACYP1A2
Lithium Ion SCHEMBL17479463 0.83 ALPL (0.41) EPHX1P4HTMMEN1KMT2ACYP1A2
SCHEMBL17477792 0.81 MEN1 (0.45) MEN1KMT2AHDAC8ALDH1A1NPC1
SCHEMBL17477824 0.80 GPR119 (0.48) P4HTMMEN1KMT2ACYP1A2HDAC8
SCHEMBL30637642 0.78 EPHX1 (0.53) EPHX1P4HTMMEN1KMT2ACYP1A2
SCHEMBL18945036 0.76 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1ALPIPKM

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
CN-103274961-B The Compounds and methods for for the treatment of cell generation disorders KINEX PHARMACEUTICALS LLC (US) 2016-05-18 CN disclosed