SCHEMBL6252579

SCHEMBL6252579

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
PTPN1 P18031 1/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL6250919 0.92 ATM (0.41) ATMHTR2CHTR2AHTR2BPTPN1
SCHEMBL6254005 0.90 ATM (0.41) ATMHTR2CHTR2APTPN1MAOB
SCHEMBL6252633 0.89 CTSS (0.40) ATMHTR2CHTR2AHTR2BCTSL
SCHEMBL6253366 0.88 MTNR1A (0.47) ATMHTR2CHTR2AHTR2BALDH1A1
SCHEMBL6251561 0.86 ATM (0.40) ATMMAOBMAOALMNAKDM4E
SCHEMBL6255885 0.82 ALDH1A1 (0.42) ATMLMNAKDM4EMEN1ALDH1A1
SCHEMBL3967475 0.81 HTR2C (0.49) ATMHTR2CHTR2AHTR2BMEN1
SCHEMBL5796714 0.77 MAPK1 (0.38) ATMPTPN1LMNAHTTMAPK1
SCHEMBL6255179 0.76 MAPK1 (0.38) ATMPTPN1LMNAMAPK1CTSL
SCHEMBL7009702 0.75 KMO (0.44) ATMHTR2CHTR2AHTR2BLMNA

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