SCHEMBL6757248

SCHEMBL6757248

CC(C)Cc1ccc(C(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MLKL Q8NB16 3/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALPL P05186 2/20 0.50
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ALOX5AP P20292 6/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALPI P09923 1/20 0.45
MAPT P10636 1/20 0.45
ALPG P10696 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
SCHEMBL16756501 0.83 ALPL (0.58) TAAR1MLKLKMT2AMAPK1TP53
SCHEMBL3397595 0.83 ALPL (0.58) TAAR1MLKLKMT2AMAPK1TP53
SCHEMBL16756243 0.83 ALPL (0.58) TAAR1MLKLKMT2AMAPK1TP53
SCHEMBL16147270 0.80 NPC1 (0.53) TAAR1MLKLKMT2AMAPK1TP53
SCHEMBL2147079 0.79 ALDH1A1 (0.66) TAAR1MLKLKMT2AMAPK1MEN1
SCHEMBL14770674 0.78 SMN1; SMN2 (0.56) TAAR1MLKLKMT2AMEN1IDO1
SCHEMBL29212596 0.77 MLKL (0.58) TAAR1MLKLKMT2AMAPK1MEN1
SCHEMBL8594223 0.74 MLKL (0.50) TAAR1MLKLKMT2AMAPK1MEN1
SCHEMBL30665026 0.72 ALDH1A1 (0.66) TAAR1MLKLKMT2AMAPK1TP53
SCHEMBL85832 0.72 ALDH1A1 (0.66) TAAR1MLKLKMT2AMAPK1TP53

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