SCHEMBL11509778

SCHEMBL11509778

O=C(O)c1coc2c([N+](=O)[O-])c(O)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ MAOB P27338 2/20 0.43
▸ ALOX15 P16050 3/20 0.39
▸ ALOX12 P18054 3/20 0.39
▸ GPR35 Q9HC97 2/20 0.37
▸ CASP6 P55212 2/20 0.36
▸ DNA2 P51530 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 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
SCHEMBL10994834 0.79 ALOX15 (0.59) KDM4EGAARECQLMAOBALOX15
SCHEMBL2187863 0.71 SELL (0.48) KDM4EGAAALOX15GPR35CASP6
SCHEMBL11509776 0.70 GPR35 (0.66) MCL1MAOBALOX15ALOX12GPR35
SCHEMBL11510369 0.68 MAOB (0.59) MCL1KDM4EGAAMAOBGPR35
SCHEMBL11508755 0.68 PTPN1 (0.60) MAOBALOX15CDK2ALDH1A1TDP1
SCHEMBL9489755 0.67 SELL (0.44) KDM4EGAAALOX15GPR35CDK2
SCHEMBL28420685 0.67 ESR1 (0.58) MCL1GAAALOX15GPR35ESR1
SCHEMBL7693503 0.67 SELL (0.57) KDM4EGAAALOX15GPR35CDK2
SCHEMBL71886 0.67 GPR35 (0.60) KDM4EALOX15GPR35CASP6CDK2
SCHEMBL29589123 0.67 GPR35 (0.60) KDM4EALOX15GPR35CASP6CDK2

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
US-4159268-A ANTIBIOTICS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1979-06-26 — — US disclosed
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