SCHEMBL12009717

SCHEMBL12009717

Cc1cc(C=C2SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ ALDH1A1 P00352 9/20 0.46
▸ MAPT P10636 9/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ S1PR4 O95977 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ S1PR5 Q9H228 1/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44

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
SCHEMBL12009091 0.92 ALDH1A1 (0.56) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL18545565 0.92 ALDH1A1 (0.56) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL18545447 0.88 TCF4 (0.58) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL12009075 0.88 TCF4 (0.58) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL12009101 0.88 TCF4 (0.58) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL18545575 0.84 TCF4 (0.58) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL12009076 0.84 TCF4 (0.58) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL12009051 0.83 TCF4 (0.70) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL18545491 0.83 TCF4 (0.70) TCF4CTNNB1HDAC6MEN1KMT2A
SCHEMBL12009081 0.83 TCF4 (0.64) TCF4CTNNB1HDAC6MEN1KMT2A

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-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
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