SCHEMBL29062787

SCHEMBL29062787

COc1cccc(/C=C(\N=[N+]=[N-])C(=O)O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ TLR6 Q9Y2C9 1/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL19330972 0.89 ADORA2A (0.41) KDM4ELMNAKMT2AJAK2TLR2
SCHEMBL19343377 0.89 ADORA2A (0.41) KDM4ELMNAKMT2AJAK2TLR2
SCHEMBL19331154 0.88 POLB (0.34) KDM4ELMNAPKMKMT2ANPC1
SCHEMBL19331152 0.88 POLB (0.34) KDM4ELMNAPKMKMT2ANPC1
SCHEMBL19330913 0.85 POLB (0.34) KDM4ELMNAPKMKMT2ANPC1
SCHEMBL23852915 0.84 POLB (0.46) LMNAKMT2ANPC1MAPTPOLB
SCHEMBL19331175 0.84 POLB (0.46) LMNAKMT2ANPC1MAPTPOLB
SCHEMBL19331172 0.84 POLB (0.46) LMNAKMT2ANPC1MAPTPOLB
SCHEMBL19332733 0.83 MEN1 (0.32) KDM4ELMNAKMT2AHTTSMN1; SMN2
SCHEMBL19332730 0.83 MEN1 (0.32) KDM4ELMNAKMT2AHTTSMN1; SMN2

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-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
Send feedback