SCHEMBL6829015

SCHEMBL6829015

CCCNc1nc(C)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
ACLY P53396 1/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR3 P49019 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 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
SCHEMBL11484236 0.87 ACLY (0.49) KDM6BKDM4CACLYKDM4EALDH1A1
SCHEMBL11488718 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15638568 0.79 TLR7 (0.44) KDM6BKDM4CKDM4EALDH1A1HPGD
SCHEMBL11246937 0.78 ACLY (0.45) ACLYKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7834038 0.78 KDM5B (0.58) KDM6BKDM4CACLYKDM4EALDH1A1
SCHEMBL1758986 0.78 ACLY (0.52) KDM4CACLYKDM4EALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27649502 0.77 KDM5B (0.57) KDM6BKDM4CACLYKDM4EALDH1A1
SCHEMBL8193624 0.77 POLB (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10883702 0.76 ACLY (0.51) ACLYKDM4EALDH1A1SMN1; SMN2GABRP
SCHEMBL444440 0.76 KDM5B (0.49) KDM6BKDM4CACLYKDM4EALDH1A1

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed