SCHEMBL4716505

SCHEMBL4716505

CC(C)NCCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
PARG Q86W56 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 5/20 0.33
PARP1 P09874 4/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL4155236 0.92 MAPT (0.36) RXFP1MAPTLMNATP53SLC6A2
SCHEMBL4717705 0.84 RXFP1 (0.40) RXFP1PARGMAPTPARP1TP53
SCHEMBL4717707 0.84 RXFP1 (0.40) RXFP1PARGMAPTPARP1TP53
SCHEMBL3244680 0.82 MAPT (0.42) TDP1MAPTLMNATP53KDM4E
SCHEMBL4713618 0.81 RXFP1 (0.41) RXFP1MAPTPARP1LMNATP53
Butyric Acid SCHEMBL4155243 0.79 KDM4E (0.39) RXFP1PARGMAPTLMNATP53
SCHEMBL4717207 0.79 MAPT (0.47) RXFP1PARGMAPTLMNASLC6A2
SCHEMBL4716487 0.79 RXFP1 (0.36) RXFP1PARGMAPTKDM4EHSD17B10
Propionic Acid SCHEMBL4159470 0.78 ALDH1A1 (0.38) RXFP1MAPTLMNATP53SLC6A2
Hydrochloric Acid SCHEMBL4155231 0.78 MAPT (0.35) MAPTPARP1LMNATP53SLC6A2

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