SCHEMBL9525700

SCHEMBL9525700

CC1(C)C=C(c2ccccn2)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
PKM P14618 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 3/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL9527612 0.84 NPC1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9524965 0.83 ADRA1A (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8332841 0.80 METAP2 (0.40) KDM4EMETAP1MAPTALDH1A1HTT
SCHEMBL9523928 0.80 CBFB (0.40) KDM4ELMNAMETAP1RAB9ANPC1
SCHEMBL9525024 0.79 RARA (0.41) KDM4ERAB9ANPC1SMN1; SMN2PKM
SCHEMBL9086316 0.79 MAPT (0.46) KDM4ELMNAPOLBMETAP1RAB9A
SCHEMBL9524854 0.79 RARA (0.48) KDM4EPOLB
SCHEMBL8316184 0.79 KDM4E (0.37) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9524666 0.78 METAP2 (0.37) CYP1A2BLMRAB9ANPC1SMN1; SMN2
SCHEMBL8796181 0.77 GRM4 (0.35) KDM4ECYP1A2HIF1ARAB9ANPC1

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