SCHEMBL9002020

SCHEMBL9002020

C=CCOC(=O)NCCSc1cccc2nccn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 9/20 0.33
FAAH O00519 1/20 0.32
CYP3A4 P08684 1/20 0.32
ERN1 O75460 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 2/20 0.31
GAA P10253 1/20 0.30
CHEK1 O14757 1/20 0.30
MAP4K4 O95819 1/20 0.30
CSF1R P07333 1/20 0.30
PRKACA P17612 1/20 0.30
KDR P35968 1/20 0.30
CDK8 P49336 1/20 0.30
MAP2K1 Q02750 1/20 0.30
ACVR1 Q04771 1/20 0.30
MAP4K2 Q12851 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL9001977 0.84 MTNR1B (0.37) MTNR1AMTNR1BMEN1KMT2ACHEK1
SCHEMBL9001857 0.84 HPGD (0.34) MTNR1AMTNR1B
SCHEMBL9002246 0.83 NPC1 (0.31) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL9002017 0.83 LMNA (0.46) MEN1KMT2AGAALMNA
SCHEMBL9001916 0.83 SMN1; SMN2 (0.36) MTNR1AMTNR1BMEN1KMT2ABRD4
SCHEMBL9002320 0.81 BRD4 (0.42) BRD4GAALMNA
SCHEMBL9001920 0.79 MTNR1A (0.47) MTNR1AMTNR1BKMT2ACHEK1MAP4K4
SCHEMBL9001895 0.77 ACHE (0.38)
SCHEMBL9002613 0.77 CNR2 (0.37) MTNR1AMTNR1BGAACHEK1MAP4K4
SCHEMBL9002351 0.77 RAB9A (0.52) CYP3A4KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP claimed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US claimed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP claimed
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