SCHEMBL436603

SCHEMBL436603

Cc1ccc2ncc(C(=O)O)c(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46

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
SCHEMBL16621492 0.83 HAVCR2 (0.47) KDM4EALDH1A1HSD17B10KMT2AGABRP
SCHEMBL30819200 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL12786944 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL438198 0.81 MAPK1 (0.63) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7498304 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL440411 0.81 HAVCR2 (0.52) ALDH1A1HSD17B10KMT2AMEN1HAVCR2
SCHEMBL442132 0.81 TSHR (0.50) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL440033 0.81 KEAP1 (0.49) ALDH1A1KMT2AMEN1HAVCR2ACHE
SCHEMBL436681 0.81 LMNA (0.63) KDM4EALDH1A1HSD17B10MAPTMAPK1
SCHEMBL440698 0.81 TP53 (0.50) KDM4EALDH1A1KMT2AMEN1MAPT

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed