SCHEMBL28609652

SCHEMBL28609652

NC(=O)C(Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.77
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CNR2 P34972 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FPR2 P25090 2/20 0.44
MME P08473 2/20 0.44
HTR2A P28223 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
CNR1 P21554 1/20 0.43
CHRM1 P11229 2/20 0.43
P4HTM Q9NXG6 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL1516139 0.88 EPHX1 (1.00) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8620330 0.86 EPHX1 (0.96) EPHX1MEN1KMT2AALPIPKM
SCHEMBL28107950 0.83 EPHX1 (0.77) EPHX1MEN1KMT2ACNR2ALPI
SCHEMBL28108266 0.83 EPHX1 (0.77) EPHX1MEN1KMT2ACNR2ALPI
SCHEMBL28151669 0.83 EPHX1 (0.77) EPHX1CNR2ALPIPKMPTGS1
SCHEMBL28605618 0.83 EPHX1 (0.71) EPHX1NPC1RAB9ACHRM1UBE2N
SCHEMBL29609793 0.83 EPHX1 (0.71) EPHX1NPC1RAB9ACHRM1UBE2N
SCHEMBL28108056 0.80 EPHX1 (0.71) EPHX1CNR2NPC1RAB9AFPR2
SCHEMBL5434743 0.79 PTGS1 (0.53) EPHX1KMT2AMMEHTR2APTGS1
SCHEMBL28107947 0.79 EPHX1 (0.75) EPHX1MEN1KMT2ACNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214104-B Method for synthesizing aromatic acetamide 浙江工业大学 2022-05-24 CN disclosed
CN-113214104-A Method for synthesizing aromatic acetamide 浙江工业大学 2021-08-06 CN disclosed