SCHEMBL29080217

SCHEMBL29080217

CN(C(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GPR119 Q8TDV5 8/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL20142379 0.86 ALDH1A1 (0.67) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6172492 0.84 MEN1 (0.52) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL8663767 0.83 MAPT (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5231091 0.83 MAPT (0.61) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3251913 0.82 MAPT (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL941160 0.82 ALDH1A1 (0.62) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL27178802 0.81 MAPT (0.56) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL26847269 0.81 SMN1; SMN2 (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL17807228 0.81 MAPT (0.62) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL5230610 0.81 ALDH1A1 (0.61) MEN1KMT2ALMNAMAPTALDH1A1

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
CN-116829524-A Method for alkylating acidic functional groups 中外制药株式会社 2023-09-29 — — CN disclosed
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