SCHEMBL6251561

SCHEMBL6251561

C[C@@H](CNC(=O)OCc1ccccc1)n1ncc2ccc3oc(C(=O)NCCO)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 3/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BRD4 O60885 1/20 0.36
CYP24A1 Q07973 1/20 0.36
ALOX5 P09917 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6254005 0.89 ATM (0.41) ATMMAOAMAOBKDM4EALDH1A1
SCHEMBL6250919 0.87 ATM (0.41) ATMMAOAMAOBKDM4EALDH1A1
SCHEMBL6252579 0.86 ATM (0.40) ATMMAOAMAOBKDM4EALDH1A1
SCHEMBL3958232 0.83 HTR2C (0.42) ATMKDM4EALDH1A1HPGDHTT
SCHEMBL6252633 0.82 CTSS (0.40) ATM
SCHEMBL6253366 0.81 MTNR1A (0.47) ATMALDH1A1HPGD
SCHEMBL6255179 0.76 MAPK1 (0.38) ATMLMNA
SCHEMBL6255885 0.75 ALDH1A1 (0.42) ATMKDM4EALDH1A1LMNAMEN1
SCHEMBL5796714 0.75 MAPK1 (0.38) ATMLMNAHTT
SCHEMBL7009702 0.73 KMO (0.44) ATMLMNAHTT

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-2005053688-A1 SUBSTITUTED FURO[2,3-G] INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-16 WO disclosed