SCHEMBL5020569

SCHEMBL5020569

CCCCc1oc2ccc(O)cc2c1C(=O)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.68
EYA3 Q99504 2/20 0.64
PTPN1 P18031 1/20 0.64
CYP2C9 P11712 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM5A P29375 1/20 0.53
KDM7A Q6ZMT4 1/20 0.53
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52

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
SCHEMBL5020570 0.91 EYA3 (0.77) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL15488929 0.89 SLC22A12 (0.58) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL5225391 0.89 NR1H4 (0.60) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL1287500 0.88 SLC22A12 (0.86) SLC22A12EYA3CYP2C9NPC1MAPT
SCHEMBL5672649 0.88 SLC22A12 (0.57) SLC22A12EYA3PTPN1CYP2C9ESR1
SCHEMBL12074771 0.88 SLC22A12 (0.57) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL11823752 0.88 SLC22A12 (0.57) SLC22A12EYA3PTPN1CYP2C9NR1H4
Hydrochloric Acid SCHEMBL27860354 0.87 SLC22A12 (0.56) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL422204 0.85 SLC22A12 (0.54) SLC22A12EYA3PTPN1CYP2C9NR1H4
SCHEMBL5227728 0.85 SLC22A12 (0.54) SLC22A12EYA3PTPN1CYP2C9NR1H4

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-2012062918-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2012-05-18 WO disclosed