SCHEMBL3245358

SCHEMBL3245358

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cccnc4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.41
ALPL P05186 5/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3253968 0.90 PKM (0.49) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3246232 0.88 MAPT (0.46) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3251025 0.87 TP53 (0.45) LMNAKMT2AALPLTP53MAPT
SCHEMBL3246156 0.87 MAPT (0.45) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3249059 0.87 MAPT (0.47) LMNAKMT2ATP53MAPTMAPK1
SCHEMBL3251809 0.86 MAPT (0.44) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3254878 0.86 PKM (0.52) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3249389 0.86 ALDH1A1 (0.52) LMNAKMT2ATP53MAPTTHRB
SCHEMBL3243020 0.85 PKM (0.48) LMNAKMT2ATP53MAPTMAPK1
SCHEMBL3249858 0.85 HSD17B10 (0.42) LMNAKMT2ATP53MAPTTHRB

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