SCHEMBL14390694

SCHEMBL14390694

Cc1ccc(-c2cc(-c3ccco3)c(N)c(OCc3ccc(C(=O)O)cc3)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ KDM4E B2RXH2 9/20 0.38
▸ MAPT P10636 9/20 0.38
▸ MEN1 O00255 9/20 0.38
▸ KMT2A Q03164 9/20 0.38
▸ POLB P06746 8/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ GAA P10253 6/20 0.37
▸ HPGD P15428 3/20 0.37

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
SCHEMBL14391015 0.90 MEN1 (0.38) IKBKBPTGS1KDM4EMAPTMEN1
SCHEMBL3582497 0.86 KDM4E (0.54) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL14391020 0.86 IKBKB (0.45) IKBKBPTGS1KDM4EMAPTMEN1
SCHEMBL14391012 0.83 CHEK2 (0.41) PTGS1KDM4EMAPTMEN1KMT2A
SCHEMBL14390863 0.82 PTGS1 (0.42) PTGS1KDM4EMAPTMEN1KMT2A
SCHEMBL14390899 0.81 ADORA2A (0.46) PTGS1KDM4EMAPTMEN1KMT2A
SCHEMBL14391019 0.81 PTGS1 (0.39) PTGS1KDM4EMAPTMEN1KMT2A
SCHEMBL3590027 0.77 KDM4E (0.49) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL3592534 0.76 POLB (0.43) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL14385887 0.76 LIMK1 (0.41) IKBKBKDM4EMAPTMEN1KMT2A

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
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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