SCHEMBL3246232

SCHEMBL3246232

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 3/20 0.46
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 3/20 0.43
MAPK1 P28482 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL3264336 0.93 HIF1A (0.47) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3246156 0.93 MAPT (0.45) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3253968 0.92 PKM (0.49) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3251809 0.92 MAPT (0.44) MAPTTP53LMNATHRBPKM
SCHEMBL3249389 0.91 ALDH1A1 (0.52) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3249059 0.91 MAPT (0.47) MAPTTP53LMNASMN1; SMN2PKM
SCHEMBL3261788 0.89 HIF1A (0.45) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3254878 0.88 PKM (0.52) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3245358 0.88 LMNA (0.43) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL3245542 0.88 ALDH1A1 (0.42) MAPTTP53LMNATHRBSMN1; SMN2

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 1 patent. 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