SCHEMBL13633381

SCHEMBL13633381

COc1ccc(C=C(C#N)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.71
▸ CA1 P00915 1/20 0.71
▸ CA2 P00918 1/20 0.71
▸ CA9 Q16790 1/20 0.71
▸ MAPT P10636 9/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ MEN1 O00255 6/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ KLK7 P49862 1/20 0.67
▸ KLK14 Q9P0G3 1/20 0.67
▸ KLK5 Q9Y337 1/20 0.67
▸ CTDSP1 Q9GZU7 3/20 0.64
▸ APOBEC3A P31941 1/20 0.64
▸ APOBEC3G Q9HC16 1/20 0.64
▸ TDP1 Q9NUW8 3/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ PKM P14618 2/20 0.63
▸ TP53 P04637 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63

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
SCHEMBL14202639 0.90 CA12 (0.74) CA12CA1CA2CA9MAPT
Tyrphostin Ag 494 SCHEMBL20645572 0.86 KMT2A (0.74) MAPTKMT2AMEN1KDM4ECTDSP1
Tyrphostin Ag 494 SCHEMBL15362064 0.86 KMT2A (0.74) MAPTKMT2AMEN1KDM4ECTDSP1
SCHEMBL13412690 0.82 MAPT (0.74) CA12CA1CA2CA9MAPT
SCHEMBL14374491 0.81 SMN1; SMN2 (0.55) CA1CA2MAPTKMT2AMEN1
SCHEMBL12732211 0.81 MAPT (0.66) CA12CA1CA2CA9MAPT
SCHEMBL10533692 0.80 KMT2A (0.83) MAPTKMT2AMEN1KDM4ECTDSP1
SCHEMBL10465998 0.80 KMT2A (0.83) MAPTKMT2AMEN1KDM4ECTDSP1
SCHEMBL782091 0.80 ALDH1A1 (0.65) MAPTKDM4EBLMALDH1A1EGFR
SCHEMBL782092 0.80 ALDH1A1 (0.65) MAPTKDM4EBLMALDH1A1EGFR

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-7611824-B2 Dummy plate precursor for planographic printing and method for producing printed plate and dummy plate FUJIFILM CORPORATION (JP) 2009-11-03 — — US disclosed
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