SCHEMBL3247263

SCHEMBL3247263

CCN(C1CCNC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
KCNH2 Q12809 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 9/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ADRB2 P07550 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3247259 1.00 SLC6A2 (0.49) SLC6A2SLC6A4KCNH2MAPTLMNA
SCHEMBL13928184 0.89 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2MAPTLMNA
Hydrochloric Acid SCHEMBL3247383 0.88 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2MAPTLMNA
SCHEMBL3251634 0.86 HPGD (0.41) MAPTLMNATP53KDM4EKMT2A
SCHEMBL3251638 0.86 HPGD (0.41) MAPTLMNATP53KDM4EKMT2A
SCHEMBL3247121 0.85 GAA (0.44) SLC6A2SLC6A4MAPTLMNATP53
Hydrochloric Acid SCHEMBL4157858 0.85 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2MAPTLMNA
Hydrochloric Acid SCHEMBL4157861 0.85 SLC6A2 (0.45) SLC6A2SLC6A4KCNH2MAPTLMNA
Hydrochloric Acid SCHEMBL3249006 0.82 SLC6A2 (0.43) SLC6A2SLC6A4KCNH2MAPTLMNA
SCHEMBL3248316 0.81 MAPT (0.38) MAPTLMNATP53KDM4EKMT2A

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