SCHEMBL4713618

SCHEMBL4713618

C#CCN(CCNC(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 7/20 0.34
HPGD P15428 6/20 0.34
KDM4E B2RXH2 6/20 0.34
HSD17B10 Q99714 5/20 0.34
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
PARP1 P09874 4/20 0.32
TRPV4 Q9HBA0 1/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 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 SCHEMBL4160930 0.92 RXFP1 (0.38) RXFP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4717999 0.90 RXFP1 (0.43) RXFP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3248746 0.82 KDM4E (0.41) RXFP1ALDH1A1HPGDKDM4EHSD17B10
Butyric Acid SCHEMBL4158045 0.82 RXFP1 (0.39) RXFP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4717113 0.81 RXFP1 (0.36) RXFP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4716505 0.81 RXFP1 (0.38) RXFP1ALDH1A1HPGDKDM4EHSD17B10
Butyric Acid SCHEMBL4162647 0.80 RXFP1 (0.42) RXFP1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13928183 0.78 HPGD (0.41) RXFP1ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL4160925 0.78 HPGD (0.36) RXFP1ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL3253818 0.77 HPGD (0.40) RXFP1ALDH1A1HPGDKDM4EHSD17B10

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