SCHEMBL24011556

SCHEMBL24011556

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.49
▸ BACE1 P56817 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ CDK2 P24941 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
SCHEMBL24011270 0.85 PKM (0.45) ALDH1A1
SCHEMBL24011342 0.84 NPC1 (0.57) ACHEBACE1ALDH1A1POLBMEN1
SCHEMBL24011567 0.83 PKM (0.43) ALDH1A1POLBSMN1; SMN2
SCHEMBL24011627 0.82 MEN1 (0.46) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24011251 0.81 ADAM17 (0.47) ALDH1A1
SCHEMBL24011413 0.80 PKM (0.39) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL24011682 0.78 PRKAB2 (0.56) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL24011561 0.78 THRB (0.57) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL24011323 0.77 HRH1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL26633914 0.76 NPC1 (0.51) ACHEBACE1ALDH1A1POLBMEN1

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-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
Send feedback