SCHEMBL6905086

SCHEMBL6905086

O=C1c2ccccc2C(c2ccccc2)c2cccc(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
CYP19A1 P11511 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2B P41595 1/20 0.43
PBRM1 Q86U86 2/20 0.41
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A1 P04798 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL6904744 0.88 ADORA2A (0.41) ADORA2ACYP19A1LMNAMAPTCYP1A2
SCHEMBL3135177 0.80 CYP1A2 (0.58) CYP19A1LMNAMAPTCYP1A2TP53
SCHEMBL9122030 0.78 ADORA2A (0.43) ADORA2ALMNAMAPTCYP1A2TP53
SCHEMBL10933413 0.77 EDNRB (0.50) CYP19A1LMNAMAPTCYP1A2TP53
SCHEMBL25028023 0.73 LMNA (0.54) ADORA2ACYP19A1LMNAMAPTCYP1A2
SCHEMBL29642916 0.73 TP53 (0.59) CYP19A1LMNAMAPTCYP1A2TP53
SCHEMBL4937596 0.73 TP53 (0.59) CYP19A1LMNAMAPTCYP1A2TP53
SCHEMBL11481819 0.73 ADORA2A (0.39) ADORA2AMAPTPBRM1ALDH1A1KDM4E
SCHEMBL9571771 0.73 CYP19A1 (0.63) CYP19A1LMNAMAPTCYP1A2TP53
SCHEMBL70993 0.72 LMNA (0.54) CYP19A1LMNAMAPTCYP1A2TP53

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
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed