SCHEMBL13993982

SCHEMBL13993982

Cc1cc(NC(C)(C)C)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 0.52
▸ ESR2 Q92731 9/20 0.48
▸ AR P10275 4/20 0.48
▸ TP53 P04637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ IDO1 P14902 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ G6PD P11413 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12883425 0.80 POLB (0.45) TP53GAAKMT2AL3MBTL1
SCHEMBL2059694 0.78 TDP1 (0.54) ESR1ESR2ARTP53TDP1
SCHEMBL8350047 0.76 TP53 (0.52) ESR1ESR2ARTP53TDP1
SCHEMBL12403864 0.75 RAPGEF4 (0.39) IDO1GAAKMT2A
SCHEMBL19220414 0.75 MEN1 (0.41) IDO1MEN1GAAKMT2A
SCHEMBL6572164 0.75 ESR1 (0.48) ESR1ESR2ARTP53TDP1
SCHEMBL19194280 0.75 CYP1A2 (0.32) MEN1GAAG6PDKMT2AL3MBTL1
SCHEMBL12883522 0.75 CYP1A2 (0.46) TDP1MEN1GAAKMT2A
SCHEMBL27612346 0.74 TDP1 (0.50) ESR1ESR2ARTP53TDP1
SCHEMBL27995684 0.74 PDE10A (0.52) ESR1ESR2ARTP53TDP1

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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