SCHEMBL8795691

SCHEMBL8795691

Cc1cnc(C2=CC(C)(C)Oc3ccc(SC(F)(F)F)cc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 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
SCHEMBL8795577 0.86 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL8795144 0.85 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL8795475 0.84 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL8794799 0.83 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL8794636 0.81 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL9376299 0.78 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL8794705 0.77 RARA (0.35) SMN1; SMN2
SCHEMBL8794632 0.76 BACE1 (0.35) SMN1; SMN2
SCHEMBL8793777 0.76 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL8793143 0.76 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed