SCHEMBL7856502

SCHEMBL7856502

Cc1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 6/20 0.50
GAA P10253 5/20 0.50
HSD17B10 Q99714 5/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 3/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45

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
SCHEMBL10084481 0.89 KDM4E (0.50) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL3311524 0.79 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14690904 0.78 USP2 (0.47) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL12892832 0.77 USP2 (0.60) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10085039 0.76 PARG (0.58) ALDH1A1KDM4EGAAHSD17B10KMT2A
SCHEMBL10086065 0.75 KDM4E (0.67) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL9049869 0.74 CA12 (0.60) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL10084475 0.74 HSD17B10 (0.47) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10085092 0.74 POLB (0.43) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL10085091 0.74 POLB (0.48) ALDH1A1KDM4EGAAHSD17B10KMT2A

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-2001004103-A1 BENZAZEPINONES AND QUINAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2001-01-18 WO disclosed