SCHEMBL6255885

SCHEMBL6255885

CC(=O)Nc1ccc(S(=O)(=O)NCc2cc3c(ccc4cnn([C@@H](C)CNC(=O)OCc5ccccc5)c43)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 4/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.36
NAMPT P43490 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 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
SCHEMBL3960196 0.85 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EPOLBGLA
SCHEMBL6250919 0.82 ATM (0.41) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL6252579 0.82 ATM (0.40) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL6253366 0.81 MTNR1A (0.47) ALDH1A1HPGDMAPTCYP2D6CYP2C9
SCHEMBL6252633 0.80 CTSS (0.40) ATM
SCHEMBL6254005 0.79 ATM (0.41) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL3966087 0.76 HTR2C (0.57) ALDH1A1LMNAKDM4EPOLBGLA
SCHEMBL6251561 0.75 ATM (0.40) ALDH1A1LMNAKDM4EPOLBHPGD
SCHEMBL6257465 0.69 MAPK1 (0.39) LMNAMAPTSMN1; SMN2ATMTP53
SCHEMBL6252719 0.69 MAPK1 (0.39) LMNAMAPTSMN1; SMN2ATMTP53

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