SCHEMBL30899559

SCHEMBL30899559

CCOC(=O)C1(C)CC(c2cc([N+](=O)[O-])ccc2Cl)=NO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ GSK3B P49841 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
SCHEMBL22714373 1.00 NPSR1 (0.40) NPSR1KDM4EPOLBMAPTALDH1A1
SCHEMBL30899558 0.86 NPC1 (0.37) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL22714362 0.86 NPC1 (0.37) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL16950775 0.85 HSD17B10 (0.40) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL22714399 0.85 F10 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL30899566 0.85 F10 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL21635547 0.84 MAPT (0.38) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29438157 0.84 MAPT (0.38) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL22714354 0.82 MAPK1 (0.37) KDM4EMAPTSMN1; SMN2MAPK1TDP1
SCHEMBL30899568 0.82 MAPK1 (0.37) KDM4EMAPTSMN1; SMN2MAPK1TDP1

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-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
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