SCHEMBL7981999

SCHEMBL7981999

COc1ccccc1-n1ccccc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MGLL Q99685 1/20 0.53
HCAR1 Q9BXC0 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
METAP2 P50579 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL17669678 0.80 NR4A1 (0.50) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3304455 0.77 ALDH1A1 (0.54) GAAMGLLHCAR1MEN1KMT2A
SCHEMBL31361518 0.76 HCAR1 (0.49) GAAMGLLHCAR1MEN1KMT2A
SCHEMBL17669676 0.76 HTT (0.50) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3433008 0.76 GAA (0.60) GAAMGLLHCAR1MEN1KMT2A
SCHEMBL9529067 0.75 CYP1A2 (0.60) GAAMAPT
SCHEMBL10059782 0.75 ALDH1A1 (0.49) GAAMGLLHCAR1MEN1KMT2A
SCHEMBL10059776 0.75 GAA (0.45) GAAMGLLHCAR1MEN1KMT2A
SCHEMBL16104143 0.75 MGLL (0.48) MGLLHCAR1MEN1KMT2AALDH1A1
SCHEMBL2098026 0.74 CA12 (0.52) GAAMGLLMEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed