SCHEMBL22684820

SCHEMBL22684820

COc1ccc(C(=O)NC2(c3ccc(-c4ccc(C#N)nc4)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NAAA Q02083 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL22685060 0.87 WDR91 (0.45) DEGS1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22439054 0.84 DEGS1 (0.46) DEGS1NAAAROCK2ROCK1EGLN1
SCHEMBL22684815 0.79 LRRK2 (0.41) DEGS1KDM4EALDH1A1LMNAMAPT
SCHEMBL7277131 0.76 MCHR1 (0.50) KDM4EALDH1A1MAPTJAK2HPGD
SCHEMBL22685090 0.74 CD274 (0.43) DEGS1HDAC3HDAC1HDAC2HDAC6
SCHEMBL22685186 0.74 PTPN1 (0.48) DEGS1KDM4ELMNAPTPN1HDAC3
SCHEMBL1169047 0.74 PTPN1 (0.50) KDM4EALDH1A1MAPTPTPN1CA1
SCHEMBL22685369 0.73 HDAC1 (0.43) DEGS1MAPTHDAC3HDAC1HDAC2
SCHEMBL22685202 0.73 WDR91 (0.40) HDAC3HDAC1HDAC2HDAC6EGLN1
SCHEMBL23908262 0.72 EGLN1 (0.50) DEGS1NAAAROCK2ROCK1CSNK2A2

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
WO-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 — — WO disclosed
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