SCHEMBL28478339

SCHEMBL28478339

CC(=NO)c1nn(C)c2cc(C(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
HCAR3 P49019 2/20 0.41
SLC22A12 Q96S37 7/20 0.39
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HTT P42858 2/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL28478338 1.00 KDM4E (0.43) KDM4EHPGDLMNAMAPTALDH1A1
SCHEMBL17785249 0.85 HCAR3 (0.47) KDM4EHPGDALDH1A1HCAR3SLC22A12
SCHEMBL4509480 0.76 SLC22A12 (0.57) KDM4EHCAR3SLC22A12HTT
SCHEMBL30040324 0.76 SLC22A12 (0.57) KDM4EHCAR3SLC22A12HTT
SCHEMBL28472713 0.75 KMT2A (0.41) KDM4EHPGDMAPTALDH1A1CA1
SCHEMBL28472711 0.75 KMT2A (0.41) KDM4EHPGDMAPTALDH1A1CA1
SCHEMBL23559591 0.75 HCAR3 (0.46) KDM4EHPGDMAPTALDH1A1HCAR3
SCHEMBL29241328 0.75 HCAR3 (0.46) KDM4EHPGDLMNAMAPTALDH1A1
SCHEMBL31632926 0.75 HCAR3 (0.46) KDM4EHPGDALDH1A1HCAR3SLC22A12
SCHEMBL30204438 0.75 HCAR3 (0.46) KDM4EHPGDLMNAMAPTALDH1A1

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-111825595-A Sodium channel blockers 山东轩竹医药科技有限公司 2020-10-27 CN disclosed