SCHEMBL9002017

SCHEMBL9002017

O=C(NCCSc1cccc2nccn12)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
TGM2 P21980 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
ANPEP P15144 1/20 0.40
POLB P06746 1/20 0.39
IDO1 P14902 2/20 0.39
KAT2B Q92831 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL9002309 0.86 SMN1; SMN2 (0.37) LMNASMN1; SMN2L3MBTL1HTTGAA
SCHEMBL9001903 0.85 NPC1 (0.39) GAA
SCHEMBL9001977 0.84 MTNR1B (0.37) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9001857 0.84 HPGD (0.34) SMN1; SMN2L3MBTL1HTTPOLB
SCHEMBL9002246 0.83 NPC1 (0.31) SMN1; SMN2
SCHEMBL9002082 0.83 LMNA (0.39) LMNAHTTGAA
SCHEMBL9002020 0.83 CASP1 (0.33) LMNAGAAMEN1KMT2A
SCHEMBL9002366 0.82 ACHE (0.39) LMNAL3MBTL1GAA
SCHEMBL9002351 0.81 RAB9A (0.52) LMNASMN1; SMN2L3MBTL1HTTGAA
SCHEMBL9002320 0.81 BRD4 (0.42) LMNAL3MBTL1HTTGAAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed