SCHEMBL3250592

SCHEMBL3250592

C#CCN(C[C@@H]1CCCN1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.34
KDM4E B2RXH2 9/20 0.34
HSD17B10 Q99714 8/20 0.34
ALDH1A1 P00352 7/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 3/20 0.34
USP2 O75604 3/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL3250595 1.00 HPGD (0.34) HPGDKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3250306 0.99 HPGD (0.34) HPGDKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3250304 0.99 HPGD (0.34) HPGDKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL13928172 0.89 HPGD (0.35) HPGDKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4158188 0.86 HTR6 (0.32) HPGDKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4158190 0.86 HTR6 (0.32) HPGDKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3245506 0.85 LMNA (0.37) HPGDKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3244775 0.85 LMNA (0.37) HPGDKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3244781 0.85 LMNA (0.37) HPGDKDM4EHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3249868 0.85 LMNA (0.37) HPGDKDM4EHSD17B10ALDH1A1MAPT

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 4 patents. 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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed