SCHEMBL3248746

SCHEMBL3248746

C#CCN(CCNC(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
HPGD P15428 10/20 0.41
HSD17B10 Q99714 8/20 0.41
ALDH1A1 P00352 7/20 0.41
USP2 O75604 3/20 0.41
MAPT P10636 7/20 0.39
POLB P06746 6/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
NPY1R P25929 1/20 0.36
HTT P42858 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL3253590 0.91 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL13928183 0.89 HPGD (0.41) KDM4EHPGDHSD17B10ALDH1A1USP2
Hydrochloric Acid SCHEMBL3253818 0.88 HPGD (0.40) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL3245366 0.87 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1USP2
Hydrochloric Acid SCHEMBL4160925 0.86 HPGD (0.36) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL3250636 0.84 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL3241772 0.84 KDM4E (0.36) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL3244680 0.83 MAPT (0.42) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL3245166 0.83 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1USP2
SCHEMBL4713618 0.82 RXFP1 (0.41) KDM4EHPGDHSD17B10ALDH1A1USP2

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