SCHEMBL3250201

SCHEMBL3250201

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@@H](C)NC(=O)OC(C)(C)C)C4CC4)cc3c12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ESR1 P03372 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN9A Q15858 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
SCHEMBL3251106 1.00 MAPT (0.31) MAPTLMNATP53KDM4EUSP2
SCHEMBL13928177 0.89 MAPT (0.33) MAPTLMNATP53KDM4EUSP2
Hydrochloric Acid SCHEMBL3254792 0.86 MAPT (0.33) MAPTLMNATP53KDM4EUSP2
Hydrochloric Acid SCHEMBL3250746 0.86 MAPT (0.33) MAPTLMNATP53KDM4EUSP2
SCHEMBL3250002 0.85 MAPT (0.35) MAPTLMNATP53KDM4EUSP2
SCHEMBL3246215 0.85 MAPT (0.35) MAPTLMNATP53KDM4EUSP2
SCHEMBL3246221 0.85 MAPT (0.35) MAPTLMNATP53KDM4EUSP2
Hydrochloric Acid SCHEMBL3249916 0.84 MAPT (0.33) MAPTLMNATP53KDM4EUSP2
SCHEMBL3243030 0.83 MAPT (0.34) MAPTLMNATP53KDM4EUSP2
Hydrochloric Acid SCHEMBL3250854 0.83 MAPT (0.36) MAPTLMNATP53KDM4EUSP2

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed