SCHEMBL25311437

SCHEMBL25311437

O=C(C(=O)N1CC[C@@H](O)C1)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.56
▸ CCND1 P24385 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.49
▸ HSD11B1 P28845 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 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
SCHEMBL31561795 1.00 CDK4 (0.56) CDK4CCND1ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL30515255 0.83 POLB (0.66) ALDH1A1POLBKDM4EKMT2ALMNA
SCHEMBL11767169 0.83 POLB (0.66) ALDH1A1POLBKDM4EKMT2ALMNA
SCHEMBL1557657 0.80 ALDH1A1 (0.69) CDK4CCND1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1559575 0.80 CDK4 (0.63) CDK4CCND1ALDH1A1SMN1; SMN2HPGD
SCHEMBL11774525 0.78 MAPK14 (0.44) KDM4EMAPK14
SCHEMBL14357727 0.78 MAPK14 (0.55) MAPK14
SCHEMBL25310211 0.75 CDK4 (0.54) CDK4CCND1ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL30515257 0.75 CDK4 (0.54) CDK4CCND1ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL13936100 0.75 MAPK14 (0.76) MAPK14

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-2023141595-A2 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES, INC. (US) 2023-07-27 — — WO disclosed
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