SCHEMBL3249059

SCHEMBL3249059

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TP53 P04637 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 2/20 0.46
BRAF P15056 1/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL3261788 0.95 HIF1A (0.45) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3254878 0.94 PKM (0.52) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3251980 0.93 HSD17B10 (0.45) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3243020 0.93 PKM (0.48) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3250430 0.93 HSD17B10 (0.45) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3253968 0.93 PKM (0.49) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3248794 0.92 MEN1 (0.58) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3249676 0.92 POLB (0.47) MAPTTP53SMN1; SMN2POLBHSD17B10
SCHEMBL3246232 0.91 MAPT (0.46) MAPTTP53SMN1; SMN2POLBTDP1
SCHEMBL3245542 0.90 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2POLBTDP1

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