SCHEMBL3249112

SCHEMBL3249112

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 8/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ADRB2 P07550 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 6/20 0.37
HPGD P15428 5/20 0.37
HTT P42858 1/20 0.35
POLB P06746 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
SPPL2A Q8TCT8 4/20 0.35
APH1B Q8WW43 4/20 0.35

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
SCHEMBL3251302 1.00 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL3249109 1.00 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL3243095 0.99 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL3247928 0.99 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL3243100 0.99 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL13928179 0.88 MAPT (0.35) MAPTTP53LMNAKDM4EHSD17B10
SCHEMBL13928178 0.88 MAPT (0.35) MAPTTP53LMNAKDM4EHSD17B10
SCHEMBL3248316 0.86 MAPT (0.38) MAPTTP53LMNAKDM4EKMT2A
SCHEMBL3244680 0.86 MAPT (0.42) MAPTTP53LMNAKDM4EKMT2A
Hydrochloric Acid SCHEMBL4155425 0.85 KDM4E (0.35) MAPTTP53LMNAKDM4EHSD17B10

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