SCHEMBL3252012

SCHEMBL3252012

CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(OC(=O)O)c3c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL3245348 0.86 HSD17B10 (0.69) HSD17B10HPGDKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3255371 0.86 HSD17B10 (0.49) HSD17B10HPGDKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3243006 0.85 HSD17B10 (0.47) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL4156375 0.82 HSD17B10 (0.54) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL3247465 0.81 CRHBP (0.47) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL3246214 0.81 HSD17B10 (0.55) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL4161639 0.81 HSD17B10 (0.52) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL3255439 0.80 HSD17B10 (0.54) HSD17B10HPGDKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4174297 0.79 HSD17B10 (0.51) HSD17B10HPGDKMT2AMEN1MAPT
SCHEMBL13928146 0.79 HSD17B10 (0.53) HSD17B10HPGDKMT2AMEN1MAPT

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