SCHEMBL9525175

SCHEMBL9525175

CC1(C)C=C(c2ccc3ccccc3n2)c2cc(C#N)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HCRTR1 O43613 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCC9 O60706 2/20 0.34
POLB P06746 2/20 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
SCHEMBL9524840 0.81 CDC7 (0.36) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL8332841 0.80 METAP2 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9527798 0.80 PDE4A (0.34) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL8195282 0.78 OPRD1 (0.44) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9525005 0.78 GABRA1 (0.38) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9524497 0.77 GRM5 (0.39) ALDH1A1ABCC9PDE4APDE4BPDE4C
SCHEMBL9628243 0.76 PDE4A (0.34) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9525564 0.76 KDM1A (0.36) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9524637 0.76 GRM5 (0.39) ABCC9PDE4APDE4BPDE4CPDE4D
SCHEMBL9528002 0.76 KDM1A (0.36) KDM4EMAPTABCC9PDE4APDE4B

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
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
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN 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