SCHEMBL3250883

SCHEMBL3250883

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 8/20 0.40
HSD17B10 Q99714 6/20 0.40
HPGD P15428 4/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 3/20 0.37
PDE5A O76074 1/20 0.35
MAPT P10636 3/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL3249686 0.91 KDM4E (0.35) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3243030 0.89 MAPT (0.34) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3241920 0.87 KDM4E (0.38) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3249689 0.86 KDM4E (0.42) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3252457 0.86 KDM4E (0.38) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3241913 0.85 KDM4E (0.51) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3253991 0.85 KDM4E (0.36) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3255160 0.85 MAPT (0.38) RXFP1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3249082 0.84 KDM4E (0.46) RXFP1ALDH1A1KDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL3244592 0.84 KDM4E (0.39) RXFP1ALDH1A1KDM4EHSD17B10HPGD

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