SCHEMBL24011682

SCHEMBL24011682

COc1ccc(CNC(O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 5/20 0.56
▸ PRKAG1 P54619 5/20 0.56
▸ PRKAA2 P54646 5/20 0.56
▸ PRKAA1 Q13131 5/20 0.56
▸ PRKAG3 Q9UGI9 5/20 0.56
▸ PRKAG2 Q9UGJ0 5/20 0.56
▸ PRKAB1 Q9Y478 5/20 0.56
▸ USP2 O75604 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NOS1 P29475 1/20 0.55
▸ NOS2 P35228 1/20 0.55
▸ CYP3A4 P08684 4/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ GRM3 Q14832 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL24011606 0.83 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24011319 0.82 POLB (0.43) SMN1; SMN2GRM3POLBALDH1A1HPGD
SCHEMBL24011556 0.78 ACHE (0.49) SMN1; SMN2NOS1NOS2MEN1KMT2A
SCHEMBL24011323 0.78 HRH1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13826413 0.75 EPHX2 (0.62) PRKAA2NOS1NOS2POLBALDH1A1
SCHEMBL24011391 0.74 ALDH1A1 (0.48) TSHRSMN1; SMN2ALDH1A1
SCHEMBL24011481 0.74 NPC1 (0.68) SMN1; SMN2GRM3MEN1KMT2APOLB
SCHEMBL18657677 0.74 ALDH1A1 (0.63) SMN1; SMN2GRM3MEN1KMT2APOLB
SCHEMBL13826658 0.74 HPGD (0.66) TSHRSMN1; SMN2GRM3KMT2APOLB
SCHEMBL16003042 0.73 EPHX2 (0.62) PRKAA2NOS1NOS2MEN1KMT2A

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
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