SCHEMBL28664079

SCHEMBL28664079

COc1ccc(CC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ ANO1 Q5XXA6 1/20 0.47
▸ STS P08842 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ GPR119 Q8TDV5 3/20 0.44
▸ CACNA1H O95180 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KCNQ2 O43526 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ SIGMAR1 Q99720 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
SCHEMBL25228282 0.87 GPR119 (0.56) SMN1; SMN2ANO1STSGPR119
SCHEMBL4213092 0.80 ALDH1A1 (0.67) MAPTSMN1; SMN2LMNAALDH1A1STS
SCHEMBL5862098 0.77 SIGMAR1 (0.67) MAPTSMN1; SMN2ALDH1A1CACNA1HCYP2D6
SCHEMBL2445002 0.76 SMN1; SMN2 (0.60) MAPTSMN1; SMN2LMNAALDH1A1SIGMAR1
SCHEMBL27090313 0.76 LMNA (0.53) MAPTSMN1; SMN2LMNAALDH1A1STS
SCHEMBL5862047 0.76 HTT (0.55) MAPTSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL10039879 0.76 ALDH1A1 (0.62) MAPTSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL24097945 0.76 ALDH1A1 (0.50) MAPTSMN1; SMN2LMNAALDH1A1STS
SCHEMBL12493302 0.76 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1STS
SCHEMBL28525675 0.76 LMNA (0.55) MAPTSMN1; SMN2LMNAALDH1A1STS

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
CN-113683610-B RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业股份有限公司 2025-02-25 — — CN disclosed
CN-113683610-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-11-23 — — CN disclosed
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