SCHEMBL1027788

SCHEMBL1027788

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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 0.87 TOP2A (0.46) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1028980 0.86 TOP2A (0.51) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1027939 0.86 LMNA (0.41) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1029009 0.84 LMNA (0.40) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1026244 0.82 ALDH1A1 (0.53) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1025805 0.82 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1025204 0.81 MAPT (0.47) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1026536 0.80 NAAA (0.45) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL3966650 0.80 LMNA (0.56) LMNAHTTSMN1; SMN2KDM4EUSP2
SCHEMBL1027198 0.79 MAPT (0.45) LMNAHTTSMN1; SMN2KDM4ENPC1

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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