SCHEMBL997842

SCHEMBL997842

COc1ccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(=O)Nc2cc(C)cc(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.53
MAPT P10636 4/20 0.53
LHCGR P22888 1/20 0.47
ABCG2 Q9UNQ0 8/20 0.46
ABCB1 P08183 7/20 0.46
PAX8 Q06710 2/20 0.45
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1000385 0.93 TP53 (0.45) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL998229 0.93 ABCG2 (0.50) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL998636 0.91 ABCB1 (0.49) TP53MAPTABCG2ABCB1PAX8
SCHEMBL998711 0.90 TP53 (0.48) TP53MAPTABCG2ABCB1PAX8
SCHEMBL999200 0.89 PAX8 (0.45) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL999048 0.89 PAX8 (0.45) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL997740 0.87 PAX8 (0.41) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL997308 0.87 ABCG2 (0.47) TP53MAPTLHCGRABCG2ABCB1
SCHEMBL2033807 0.86 TP53 (0.49) TP53MAPTABCG2ABCB1LMNA
SCHEMBL998300 0.86 MAPT (0.43) TP53MAPTLHCGRABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed