SCHEMBL14503595

SCHEMBL14503595

O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
MCL1 Q07820 1/20 0.54
PTGS2 P35354 2/20 0.53
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
DEGS1 O15121 2/20 0.45
HPGD P15428 1/20 0.44
RORC P51449 1/20 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
SCHEMBL14504207 0.90 KMT2A (0.58) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14503227 0.87 PTGS2 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14503143 0.87 PTGS2 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14503191 0.86 PTGS2 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14503163 0.86 PTGS2 (0.57) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14503524 0.85 PTGS2 (0.54) RAB9AMEN1KMT2ASMN1; SMN2GAA
SCHEMBL14503317 0.85 MEN1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5383352 0.85 DEGS1 (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14504974 0.85 NPSR1 (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14504792 0.85 NPSR1 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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