SCHEMBL1029009

SCHEMBL1029009

CCCCCCCCCCCCCCC(=NNC(=S)Nc1ccccc1)C(c1ccccn1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ HKDC1 Q2TB90 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 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
SCHEMBL1027263 0.88 TOP2A (0.46) LMNASMN1; SMN2HTTHSP90AA1GAA
SCHEMBL1028980 0.87 TOP2A (0.51) LMNASMN1; SMN2HTTHSP90AA1KMT2A
SCHEMBL1026244 0.85 ALDH1A1 (0.53) LMNASMN1; SMN2HTTHSP90AA1GAA
SCHEMBL1027788 0.84 LMNA (0.43) LMNASMN1; SMN2HTTHSP90AA1CYP1A2
SCHEMBL1027939 0.83 LMNA (0.41) LMNASMN1; SMN2HTTHSP90AA1CYP1A2
SCHEMBL1025805 0.81 SMN1; SMN2 (0.46) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL1026536 0.77 NAAA (0.45) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL3966650 0.76 LMNA (0.56) LMNASMN1; SMN2HTTHSP90AA1CYP1A2
SCHEMBL1027198 0.76 MAPT (0.45) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL1025204 0.75 MAPT (0.47) LMNASMN1; SMN2HTTHSP90AA1KMT2A

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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