SCHEMBL3243030

SCHEMBL3243030

CCCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CCO)C4CC4)cc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 7/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
ESR1 P03372 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
POLB P06746 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MEN1 O00255 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
SCHEMBL3250546 0.89 MAPT (0.36) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3250854 0.89 MAPT (0.36) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL3255160 0.89 MAPT (0.38) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL3250883 0.89 RXFP1 (0.40) MAPTLMNAKDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL3254792 0.88 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3250746 0.88 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL3251345 0.87 KDM4E (0.38) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3250216 0.87 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3254032 0.87 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10
Hydrochloric Acid SCHEMBL3249916 0.87 MAPT (0.33) MAPTLMNATP53KDM4EHSD17B10

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