SCHEMBL1026536

SCHEMBL1026536

CCCCCCCCCCCCCCC(=NNC(=O)c1ccncc1)C(c1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 4/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TP53 P04637 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
SCHEMBL1025805 0.94 SMN1; SMN2 (0.46) NAAALMNAHTTSMN1; SMN2GAA
SCHEMBL1027198 0.91 MAPT (0.45) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL1025204 0.90 MAPT (0.47) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL1023783 0.86 OGG1 (0.54) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL1026097 0.85 CYP1A2 (0.40) NAAALMNAHTTSMN1; SMN2GAA
SCHEMBL1027788 0.80 LMNA (0.43) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1027263 0.79 TOP2A (0.46) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL1028980 0.78 TOP2A (0.51) LMNAHTTSMN1; SMN2GAARAB9A
SCHEMBL1027939 0.78 LMNA (0.41) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL1029009 0.77 LMNA (0.40) LMNAHTTSMN1; SMN2GAARAB9A

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
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP claimed
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