SCHEMBL9524927

SCHEMBL9524927

CC1(C)CC(c2ccccn2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR3 O15455 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.37
AKR1B1 P15121 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
METAP1 P53582 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GPR35 Q9HC97 1/20 0.36
PDE7A Q13946 1/20 0.36
GRM5 P41594 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL9527983 0.88 TLR3 (0.40) MAPTALDH1A1KDM4EL3MBTL1TP53
SCHEMBL9524511 0.82 TLR3 (0.39) MAPTALDH1A1L3MBTL1SMN1; SMN2TLR3
SCHEMBL9525760 0.81 TRPM5 (0.42) TP53SMN1; SMN2SIRT2NPSR1LMNA
SCHEMBL9524374 0.81 HTR2B (0.35) MAPTSMN1; SMN2
SCHEMBL9523567 0.80 DDB1 (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL9524902 0.80 ESR1 (0.42) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9527411 0.80 BRD4 (0.37) KDM4ESMN1; SMN2
SCHEMBL9527547 0.79 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL9523546 0.79 TGFBR1 (0.39) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL8967989 0.78 ABCC9 (0.43) KDM4ESIRT2

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