SCHEMBL3244949

SCHEMBL3244949

CN(c1cccc(F)c1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ADRB2 P07550 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CLEC4M Q9H2X3 1/20 0.40
BACE1 P56817 1/20 0.39
POLB P06746 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
SCHEMBL3250548 0.91 HPGD (0.56) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3245348 0.90 HSD17B10 (0.69) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3247194 0.89 HPGD (0.48) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3251817 0.88 CRHBP (0.49) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3242740 0.85 HPGD (0.48) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3248232 0.83 HSD17B10 (0.47) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3252256 0.80 MAPT (0.44) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3247632 0.80 KMT2A (0.58) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3254539 0.79 MAPT (0.48) HSD17B10HPGDKDM4EKMT2AMEN1
SCHEMBL3248331 0.79 KDM4E (0.60) HSD17B10HPGDKDM4EKMT2AMEN1

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 2 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-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed