SCHEMBL9002389

SCHEMBL9002389

CC(C)OC(=O)NCCSc1cccc2ncc(Cl)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ BRD4 O60885 6/20 0.34
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL9001906 0.87 SMN1; SMN2 (0.35) SMN1; SMN2HTTTSHRMAPTMEN1
SCHEMBL9001887 0.79 NPC1 (0.38) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL9001916 0.78 SMN1; SMN2 (0.36) SMN1; SMN2HTTTSHRMAPTMEN1
Hydrochloric Acid SCHEMBL9001979 0.77 SMN1; SMN2 (0.36) SMN1; SMN2HTTTSHRMAPTMEN1
SCHEMBL9001911 0.75 RECQL (0.43) MAPTMEN1KMT2ALMNARECQL
SCHEMBL9001914 0.72 BRD4 (0.36) SMN1; SMN2HTTTSHRMAPTMEN1
SCHEMBL9002374 0.72 BRD4 (0.38) SMN1; SMN2HTTTSHRMAPTMEN1
SCHEMBL9001898 0.71 TTK (0.38) MAPK1LMNAHPGDBRD4
SCHEMBL9001977 0.66 MTNR1B (0.37) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL9002082 0.66 LMNA (0.39) HTTTSHRMAPK1LMNABRD4

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
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