SCHEMBL9523928

SCHEMBL9523928

CC1(C)C=C(c2ccccn2)c2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TGFBR1 P36897 2/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
GRM5 P41594 2/20 0.35
PPARG P37231 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPY5R Q15761 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8131067 0.85 CBFB (0.40) CBFBSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL8132735 0.83 CBFB (0.39) CBFBSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL8312741 0.83 CBFB (0.39) CBFBSMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL8794576 0.82 CBFB (0.43) CBFBPSEN1PSEN2APH1BNCSTN
SCHEMBL8794636 0.82 SMN1; SMN2 (0.34) SMN1; SMN2NPC1MAPK1RAB9AGRM5
SCHEMBL9527612 0.82 NPC1 (0.44) CBFBSMN1; SMN2NPC1RAB9ATGFBR1
SCHEMBL9524965 0.81 ADRA1A (0.39) SMN1; SMN2NPC1RAB9AGRM5ALDH1A1
SCHEMBL8795248 0.81 PTGS2 (0.35) CBFBSMN1; SMN2GAAALDH1A1LMNA
SCHEMBL9525700 0.80 KDM4E (0.39) SMN1; SMN2NPC1MAPK1RAB9AGRM5
SCHEMBL8332841 0.78 METAP2 (0.40) TGFBR1GRM5KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed