SCHEMBL28519918

SCHEMBL28519918

Oc1cc2cc(-c3cccc4c3ccc3ccccc34)oc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 1/20 0.47
TRPM4 Q8TD43 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL28519920 0.86 TRPM4 (0.52) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL30956969 0.74 MAOB (0.62) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL28622794 0.74 TRPM4 (0.61) CYP3A4CYP2C19CYP2C9TSHRTRPM4
SCHEMBL5468830 0.74 MAOB (0.62) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL30177002 0.74 AKR1C3 (0.56) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL28380808 0.74 AKR1C3 (0.56) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL13229036 0.72 MAOA (0.51) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL11726972 0.71 TRPM4 (0.68) CYP2C19MAPTCYP2C9TSHRTRPM4
SCHEMBL19017120 0.71 F2 (0.43) CYP3A4CYP2C19MEN1MAPTKMT2A
SCHEMBL30176902 0.71 MAPT (0.60) CYP3A4CYP2C19MEN1MAPTKMT2A

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
CN-112358459-B Preparation method of benzofuran compound 心远(广州)药物研究有限公司 2023-01-17 CN disclosed
CN-112358459-A Preparation method of benzofuran compound 心远(广州)药物研究有限公司 2021-02-12 CN disclosed