SCHEMBL3258951

SCHEMBL3258951

N#Cc1cccc(Oc2ccc([AsH2])cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
ERBB3 P21860 1/20 0.47
ERBB4 Q15303 1/20 0.47
EPAS1 Q99814 6/20 0.47
AR P10275 2/20 0.47
CYP19A1 P11511 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
VEGFA P15692 3/20 0.43
KCNH2 Q12809 3/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A3 Q01959 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL8550179 0.83 AR (0.60) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL2747584 0.82 EGFR (0.50) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL30442130 0.82 EPAS1 (0.47) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL25331897 0.82 EPAS1 (0.47) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL920869 0.81 AR (0.54) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL2749527 0.77 MEN1 (0.58) EPAS1
SCHEMBL4171609 0.77 AR (0.70) EGFRERBB2ERBB3ERBB4AR
SCHEMBL11088375 0.77 AR (0.54) EGFRERBB2ERBB3ERBB4EPAS1
SCHEMBL10088434 0.76 AR (0.65) ARCYP19A1MRGPRX4KCNH2SLC6A4
SCHEMBL8432193 0.76 AR (0.55) EPAS1ARCYP19A1VEGFASLC6A4

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
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 WO disclosed
WO-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed