SCHEMBL9001983

SCHEMBL9001983

O=C(NCCCn1ccnc1)OCCSc1cccc2nccn12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PKM P14618 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL9002031 0.85 ACHE (0.34) ALDH1A1HSD17B10HPGDTDP1SMN1; SMN2
SCHEMBL9002520 0.84 ACHE (0.43) HPGDSMN1; SMN2HTT
SCHEMBL9001895 0.84 ACHE (0.38) ALDH1A1HSD17B10HPGDTDP1
SCHEMBL9002724 0.83 KDM4E (0.45) ALDH1A1SMN1; SMN2GAAMAPK1KDM4E
SCHEMBL9002366 0.79 ACHE (0.39) ALDH1A1HPGDL3MBTL1GAALMNA
SCHEMBL9001857 0.78 HPGD (0.34) HPGDSMN1; SMN2L3MBTL1NPC1MAPK1
SCHEMBL9002395 0.78 LMNA (0.34) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1GAA
SCHEMBL9002205 0.77 ALDH1A1 (0.39) ALDH1A1HPGDTDP1SMN1; SMN2PKM
SCHEMBL9002818 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDTDP1SMN1; SMN2
SCHEMBL9001998 0.76 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1

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