SCHEMBL3251817

SCHEMBL3251817

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C)c4cccc(F)c4)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HSD17B10 Q99714 5/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ADRB2 P07550 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 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
SCHEMBL3246214 0.91 HSD17B10 (0.55) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3254539 0.91 MAPT (0.48) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3250657 0.90 CRHBP (0.49) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3244949 0.88 HSD17B10 (0.55) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3247541 0.85 MEN1 (0.44) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3249025 0.85 MAPT (0.52) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL3255439 0.83 HSD17B10 (0.54) HSD17B10HPGDALDH1A1KMT2AMEN1
SCHEMBL3255494 0.82 MAPT (0.44) CRHBPCRHR2HSD17B10HPGDALDH1A1
SCHEMBL13928146 0.82 HSD17B10 (0.53) HSD17B10HPGDALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3250275 0.81 HSD17B10 (0.52) HSD17B10HPGDALDH1A1KMT2AMEN1

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