SCHEMBL28575536

SCHEMBL28575536

CCc1cc(Cl)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SUV39H2 Q9H5I1 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALK Q9UM73 2/20 0.45
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL30074968 1.00 MAPT (0.47) MAPTHTTMAPK1SUV39H2ALDH1A1
SCHEMBL28578728 0.81 MAPT (0.49) MAPTHTTMAPK1SUV39H2ALDH1A1
SCHEMBL30074969 0.81 MAPT (0.49) MAPTHTTMAPK1SUV39H2ALDH1A1
SCHEMBL23629089 0.79 JAK2 (0.51) MAPTHTTALDH1A1LMNASMN1; SMN2
SCHEMBL30594931 0.77 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2CKS1B
SCHEMBL29125356 0.77 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2CKS1B
SCHEMBL31142866 0.77 MAPT (0.49) MAPTHTTMAPK1SUV39H2ALDH1A1
SCHEMBL29636799 0.77 MAPT (0.46) MAPTHTTSUV39H2ALDH1A1LMNA
SCHEMBL23015375 0.77 MAPT (0.46) MAPTHTTSUV39H2ALDH1A1LMNA
SCHEMBL30208188 0.76 MAPT (0.72) MAPTHTTMAPK1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493453-B Condensed aromatic ring derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-06-16 — — CN disclosed
CN-112955432-B Fused aromatic ring derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 — — CN disclosed
CN-113493453-A Fused aromatic ring derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-10-12 — — CN disclosed
CN-112955432-A Fused aromatic ring derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-06-11 — — CN disclosed
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