SCHEMBL14503630

SCHEMBL14503630

Cc1ccc(C(=O)Nc2ccc(Nc3nc(NCCN4CCNC4=O)nc(C4CCCCC4)n3)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CTNNB1 P35222 1/20 0.35
▸ TCF7L2 Q9NQB0 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL5391472 0.84 RAB9A (0.43) KMT2ARAB9ACTNNB1TCF7L2MAPT
SCHEMBL14503581 0.81 GBA1 (0.49) CTNNB1TCF7L2MAPTGBA1POLB
SCHEMBL14503139 0.79 PTGS2 (0.47) KMT2ARAB9ACTNNB1TCF7L2MAPT
SCHEMBL5387481 0.77 F10 (0.40) KMT2ARAB9AMAPTGBA1MEN1
SCHEMBL14503626 0.73 CTNNB1 (0.41) KMT2ARAB9ACTNNB1TCF7L2MAPT
SCHEMBL14503615 0.71 GBA1 (0.48) KMT2AMAPTGBA1MEN1NPSR1
SCHEMBL14503191 0.70 PTGS2 (0.57) KMT2ARAB9ACTNNB1TCF7L2MAPT
SCHEMBL14503163 0.70 PTGS2 (0.57) KMT2ARAB9ACTNNB1TCF7L2MAPT
SCHEMBL14503583 0.70 MAPT (0.45) KMT2ARAB9AMAPTGBA1POLB
SCHEMBL14503676 0.70 PTGS2 (0.52) KMT2ARAB9ACTNNB1TCF7L2MAPT

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
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