SCHEMBL3242978

SCHEMBL3242978

CNC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
HTT P42858 1/20 0.50
GAA P10253 5/20 0.47
HSD17B10 Q99714 5/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 3/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
USP2 O75604 2/20 0.41
PTPN7 P35236 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.38
APEX1 P27695 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL13928192 0.87 MAPT (0.42) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3242729 0.87 KDM4E (0.45) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3242728 0.87 KDM4E (0.45) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3242979 0.87 KDM4E (0.45) KDM4EHTTGAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL3254746 0.86 MAPT (0.42) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3246034 0.86 KDM4E (0.44) KDM4EHTTGAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL4163611 0.84 KDM4E (0.39) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3247163 0.83 GAA (0.55) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3245618 0.82 HSD17B10 (0.69) KDM4EHTTGAAHSD17B10MAPT
SCHEMBL3249354 0.82 KDM4E (0.45) KDM4EHTTGAAHSD17B10MAPT

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 6 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-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
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