SCHEMBL13680636

SCHEMBL13680636

COC(=O)c1ccc(-c2ncc(C)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HDAC4 P56524 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA12 O43570 2/20 0.44

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
SCHEMBL28758887 0.84 P2RX3 (0.47) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL459230 0.83 MAPT (0.54) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL28968146 0.82 CDK8 (0.51) MAPTKDM4ELMNAHDAC4SMN1; SMN2
SCHEMBL13680634 0.82 HDAC4 (0.49) MAPTALDH1A1KMT2AHDAC4CSNK2A2
SCHEMBL13680638 0.81 HDAC4 (0.48) MAPTALDH1A1HDAC4SMN1; SMN2NPC1
SCHEMBL26759931 0.81 MAPT (0.51) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL17824191 0.80 CA12 (0.51) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL7394802 0.80 CA1 (0.56) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL28758904 0.80 P2RX3 (0.44) KDM4EALDH1A1HDAC4MAPK1CSNK2A2
SCHEMBL29618705 0.80 P2RX3 (0.44) KDM4EALDH1A1HDAC4MAPK1CSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
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