SCHEMBL6757229

SCHEMBL6757229

CCC(c1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.54
IDO1 P14902 1/20 0.54
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
MLKL Q8NB16 3/20 0.51
KMT2A Q03164 2/20 0.50
DDAH1 O94760 1/20 0.50
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 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
SCHEMBL13182507 0.83 MLKL (0.52) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL6753926 0.81 ALPL (0.54) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL5852590 0.81 ALDH1A1 (0.56) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL3161814 0.81 ALDH1A1 (0.59) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL30583063 0.81 ALDH1A1 (0.59) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL28890917 0.80 TNKS2 (0.56) ALDH1A1KMT2A
SCHEMBL16756501 0.79 ALPL (0.58) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL3397595 0.79 ALPL (0.58) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL16756243 0.79 ALPL (0.58) ALPLMAPK1ALDH1A1IDO1POLB
SCHEMBL1284420 0.79 TAAR1 (0.59) ALPLMAPK1ALDH1A1IDO1POLB

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-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed