SCHEMBL14503583

SCHEMBL14503583

Cc1ccc(C(=O)Nc2ccc(Nc3nc(NC4CCNCC4)nc(N4CCCCC4)n3)cc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ ROCK1 Q13464 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ APP P05067 1/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MCL1 Q07820 1/20 0.40

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
SCHEMBL14503585 0.92 CA12 (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503676 0.89 PTGS2 (0.52) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL5385112 0.88 APP (0.38) MAPTROCK1APPRAB9ACCNE1
SCHEMBL14503163 0.87 PTGS2 (0.57) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503191 0.87 PTGS2 (0.57) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503642 0.84 PTGS2 (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503591 0.83 CA12 (0.44) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503139 0.83 PTGS2 (0.47) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503664 0.83 PTGS2 (0.49) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL14503548 0.83 PTGS2 (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT

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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