SCHEMBL3983803

SCHEMBL3983803

Oc1ccc(F)c2cnc(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MPI P34949 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.34
ALOX15 P16050 2/20 0.33
IGF1R P08069 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3980812 0.80 ALDH1A1 (0.44) HTR2CHTR2BL3MBTL1KDM4EMAPT
SCHEMBL3983651 0.78 PTGDR2 (0.43) MAPT
SCHEMBL3984415 0.77 HTR2C (0.43) HTR2CHTR2BERCC1ERCC4L3MBTL1
SCHEMBL3980996 0.76 PTGDR2 (0.39) L3MBTL1KDM4EMAPTKMT2AMAPK1
SCHEMBL25328427 0.76 KDM4E (0.47) L3MBTL1KDM4EMPIMAPTKMT2A
SCHEMBL10999896 0.69 HTR2C (0.46) HTR2CHTR2BERCC1ERCC4L3MBTL1
SCHEMBL8130133 0.65 HTR2C (0.48) HTR2CHTR2BL3MBTL1KDM4EMAPT
SCHEMBL8130252 0.65 HTR2C (0.48) HTR2CHTR2B
SCHEMBL3984193 0.63 MAPT (0.50) HTR2CHTR2BL3MBTL1KDM4EMAPT
SCHEMBL15331281 0.63 HTR2C (0.43) HTR2CHTR2BERCC1ERCC4L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed