SCHEMBL11550629

SCHEMBL11550629

COc1ccccc1C=C(C#N)C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ LMNA P02545 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ PLIN1 O60240 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PLIN5 Q00G26 1/20 0.47
▸ ABHD5 Q8WTS1 1/20 0.47
▸ NFE2L2 Q16236 4/20 0.46
▸ TFEB P19484 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL11550627 1.00 KDM4E (0.61) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL1532464 0.80 KDM4E (0.64) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL11550297 0.78 ABCG2 (0.46) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL5555599 0.78 ALDH1A1 (0.48) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL5555600 0.78 ALDH1A1 (0.48) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL6337314 0.78 NFE2L2 (0.53) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL6337311 0.78 NFE2L2 (0.53) KDM4EKMT2ALMNAPKMMAPT
SCHEMBL15740336 0.76 KDM4E (1.00) KDM4EKMT2ALMNAPKMMEN1
SCHEMBL15740335 0.76 KDM4E (1.00) KDM4EKMT2ALMNAPKMMEN1
SCHEMBL10533217 0.76 KDM4E (0.54) KDM4EKMT2ALMNAPKMMAPT

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-4172090-A FROM ISOAZOLE AND BENZALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 — — US disclosed
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