SCHEMBL4416043

SCHEMBL4416043

CC(=O)N(C(C)=O)C(N=NCc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CHRM1 P11229 1/20 0.40
EPHX1 P07099 1/20 0.38
ACP3 P15309 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
NOS2 P35228 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPA1 O75762 1/20 0.35
CTRB1 P17538 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5313131 0.73 CTRB1 (0.44) MTNR1AMTNR1BNPC1RAB9ACTRB1
SCHEMBL4416045 0.70 NOS2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8165210 0.69 TRPA1 (0.39) EPHX1ACP3NOS2ALDH1A1TRPA1
SCHEMBL8165213 0.69 TRPA1 (0.39) EPHX1ACP3NOS2ALDH1A1TRPA1
SCHEMBL10697341 0.67 MTNR1A (0.46) MTNR1AMTNR1BPKMALDH1A1HPGD
SCHEMBL17253893 0.66 EPHX1 (0.40) EPHX1NOS2
SCHEMBL17285426 0.66 TAAR1 (0.40) PKMNOS2
Butanedione SCHEMBL5315580 0.65 NOS2 (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555186 0.65 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555192 0.65 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5

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
EP-1537796-B1 Anti-microbial elastomeric flexible article, such as a glove, and manufacturing method CHOU BELLE L (US) 2009-12-30 EP claimed