SCHEMBL26067041

SCHEMBL26067041

CC(C)c1nnc(-n2cccn2)o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL26067043 0.72 KDM4E (0.34) TDO2KDM4EALDH1A1LMNAMEN1
SCHEMBL22653871 0.66 GPR119 (0.32) —
SCHEMBL28456334 0.65 NPC1 (0.47) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL838325 0.65 EPHX2 (0.33) ALDH1A1MAPT
SCHEMBL30641570 0.64 KDM4E (0.40) TDO2KDM4EALDH1A1LMNAMEN1
SCHEMBL4728473 0.63 ALDH1A1 (0.38) TDO2KDM4EALDH1A1LMNAMEN1
SCHEMBL12145803 0.62 POLB (0.36) KDM4EALDH1A1LMNAMEN1GAA
SCHEMBL9279667 0.62 KDM4E (0.37) TDO2KDM4EALDH1A1LMNAMEN1
SCHEMBL10080953 0.62 POLB (0.65) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL14961826 0.62 POLB (0.47) TDO2KDM4EALDH1A1LMNAMEN1

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-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 — — WO disclosed
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