SCHEMBL27867411

SCHEMBL27867411

O=C(O)C1Cc2cc(-c3ccc(Cl)cc3)ccc2N1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 11/20 0.42
▸ MMP3 P08254 7/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ AADAT Q8N5Z0 1/20 0.40
▸ DRD4 P21917 1/20 0.38
▸ ALAD P13716 1/20 0.38
▸ EDNRB P24530 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL27883815 0.90 MMP8 (0.43) MMP8MMP3MMP13HSD17B3AGTR2
SCHEMBL27867498 0.88 AGTR2 (0.51) MMP8MMP3HSD17B3AGTR2
SCHEMBL27867447 0.86 OPRD1 (0.43) MMP8MMP3AGTR2
SCHEMBL27883870 0.82 AADAT (0.46) MMP8MMP3AADATTDP1L3MBTL1
SCHEMBL27883807 0.82 AADAT (0.43) MMP8MMP3AGTR2AADAT
SCHEMBL27883817 0.80 FFAR1 (0.47) MMP8MMP3MMP13AGTR2
SCHEMBL27883804 0.80 KMO (0.46) AGTR2
SCHEMBL27867409 0.78 AGTR2 (0.52) HSD17B3AGTR2
SCHEMBL27867426 0.76 NOTUM (0.42) AGTR2
SCHEMBL27883816 0.75 TDP2 (0.43) AGTR2

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-102639497-A Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds UNIV PISA 2012-08-15 — — CN claimed
CN-102639497-A Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds UNIV PISA 2012-08-15 — — CN disclosed
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