SCHEMBL27337641

SCHEMBL27337641

CCc1cc(NCc2ccc(OC)c(OC)c2)c(=O)[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.46
APP P05067 1/20 0.46
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MEN1 O00255 4/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 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
SCHEMBL9164330 0.86 MAPT (0.41) POLBALDH1A1KDM4EMAPTTDP1
SCHEMBL9278136 0.82 MAPT (0.51) POLBALDH1A1KDM4EMAPTTDP1
SCHEMBL9846124 0.82 RPS6KB1 (0.40) POLBALDH1A1KDM4EMAPTLMNA
SCHEMBL9170296 0.81 KDM4E (0.44) POLBALDH1A1KDM4EMAPTGAA
SCHEMBL9846107 0.81 PDE3B (0.41) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL9283645 0.80 MAPT (0.48) POLBALDH1A1KDM4EMAPTTDP1
SCHEMBL9846175 0.80 PDE3B (0.38) POLBALDH1A1KDM4EMAPTTDP1
SCHEMBL9168694 0.80 PDE3B (0.42) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL27337640 0.80 PDE3B (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL9432629 0.79 MEN1 (0.47) KDM4EMAPTKMT2AMEN1

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
CN-1062138-A The synergy of HIV reverse transcriptase inhibitors MERCK & CO INC (US) 1992-06-24 CN disclosed