SCHEMBL3244680

SCHEMBL3244680

CC(C)NCCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 12/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 8/20 0.36
HSD17B10 Q99714 8/20 0.36
ALDH1A1 P00352 5/20 0.36
USP2 O75604 4/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13928164 0.89 MAPT (0.39) MAPTTP53LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL3254799 0.88 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
SCHEMBL3248316 0.87 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
SCHEMBL3251302 0.86 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
SCHEMBL3249109 0.86 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
SCHEMBL3249112 0.86 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL4155231 0.85 MAPT (0.35) MAPTTP53LMNAKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL3243095 0.85 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL3243100 0.85 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL3247928 0.85 MAPT (0.38) MAPTTP53LMNAKDM4EPOLB

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