SCHEMBL9001887

SCHEMBL9001887

CC(C)OC(=O)NCCSc1cccc2ncc(CN3CCOCC3)n12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PSMD14 O00487 1/20 0.34
▸ STAMBP O95630 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9002068 0.80 HSD17B10 (0.34) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL9001906 0.79 SMN1; SMN2 (0.35) NPC1RAB9ABRD4LMNAMAPT
SCHEMBL9002389 0.79 SMN1; SMN2 (0.40) NPC1RAB9ABRD4LMNAMAPT
SCHEMBL9001916 0.71 SMN1; SMN2 (0.36) NPC1RAB9ABRD4LMNAMAPT
Hydrochloric Acid SCHEMBL9001979 0.70 SMN1; SMN2 (0.36) NPC1RAB9ABRD4LMNAMAPT
SCHEMBL9001914 0.66 BRD4 (0.36) RAB9ABRD4LMNAMAPTSMN1; SMN2
SCHEMBL12206712 0.66 TDP1 (0.56) MAPTSMN1; SMN2ALDH1A1
SCHEMBL9002374 0.65 BRD4 (0.38) RAB9ABRD4MAPTSMN1; SMN2KMT2A
SCHEMBL9001898 0.64 TTK (0.38) BRD4LMNA
SCHEMBL22281957 0.64 ALDH1A1 (0.59) RAB9ALMNASMN1; SMN2ALDH1A1

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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