SCHEMBL9377451

SCHEMBL9377451

CC1(C)C=C(c2cccnc2O)c2cc(SC(F)(F)F)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL8793143 0.88 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL8793777 0.86 SMN1; SMN2 (0.33) SMN1; SMN2RARARARBRARG
SCHEMBL8795130 0.85 ABL1 (0.32) SMN1; SMN2
SCHEMBL8795134 0.85 RARA (0.31) SMN1; SMN2RARARARBRARG
SCHEMBL9378364 0.84 LMNA (0.34) RARARARBRARG
SCHEMBL8794636 0.82 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9A
SCHEMBL8794583 0.80 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL9381836 0.80 PSEN1 (0.36)
SCHEMBL9378940 0.80 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL9377533 0.80 RARA (0.31) RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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