SCHEMBL7004595

SCHEMBL7004595

C[C@@H](c1ccccc1)N1Cc2sc(N)c(C(=O)O)c2CC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.40
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL7094863 1.00 ADORA1 (0.40) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL7094861 1.00 ADORA1 (0.40) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5770549 0.90 ADORA1 (0.38) ADORA1MAPTKDM4EALDH1A1KMT2A
SCHEMBL5770553 0.90 ADORA1 (0.38) ADORA1MAPTKDM4EALDH1A1KMT2A
SCHEMBL5771598 0.90 ADORA1 (0.38) ADORA1MAPTKDM4EALDH1A1KMT2A
SCHEMBL7211154 0.90 ADORA1 (0.38) ADORA1MAPTKDM4EALDH1A1KMT2A
SCHEMBL6049947 0.82 ADORA1 (0.44) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL6049924 0.81 ADORA1 (0.33) ADORA1ALDH1A1KMT2AMEN1
SCHEMBL6049921 0.81 ADORA1 (0.33) ADORA1ALDH1A1KMT2AMEN1
SCHEMBL7003545 0.78 KEAP1 (0.40) ADORA1KMT2A

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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed