SCHEMBL4716487

SCHEMBL4716487

O=c1[nH]c2ccc(S(=O)(=O)N(C[C@@H]3CCCN3)C3CC3)cc2c2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
HTR6 P50406 14/20 0.34
PARG Q86W56 1/20 0.34
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1F P30939 1/20 0.31
MAPT P10636 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
Butyric Acid SCHEMBL4166218 0.92 KDM4E (0.36) RXFP1HTR6BRD4KDM4EHSD17B10
Butyric Acid SCHEMBL4155631 0.91 KDM4E (0.35) RXFP1HTR6KDM4EHSD17B10MAPT
Butyric Acid SCHEMBL4153181 0.91 KDM4E (0.35) RXFP1HTR6KDM4EHSD17B10MAPT
SCHEMBL3244781 0.82 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
SCHEMBL3244775 0.82 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
SCHEMBL3245506 0.82 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL3250783 0.81 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL3249868 0.81 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL3249873 0.81 LMNA (0.37) HTR6KDM4EALDH1A1HSD17B10MAPT
Butyric Acid SCHEMBL4162712 0.79 RXFP1 (0.35) RXFP1HTR6KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed