SCHEMBL28519920

SCHEMBL28519920

Oc1cc2cc(-c3cc4ccccc4c4ccccc34)oc2cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.52
ALOX5 P09917 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
ESR1 P03372 1/20 0.42
PDE4D Q08499 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL28519918 0.86 CYP3A4 (0.50) TRPM4ALOX5MEN1KMT2ACYP3A4
SCHEMBL25824624 0.76 AHR (0.45) MEN1KMT2ATDP1PDE4DKDM4E
SCHEMBL30176902 0.74 MAPT (0.60) ALOX5MEN1KMT2ACYP3A4CYP2C9
SCHEMBL28380621 0.74 MAPT (0.60) ALOX5MEN1KMT2ACYP3A4CYP2C9
SCHEMBL25022558 0.72 GPR84 (0.42) ALOX5MEN1KMT2ACYP3A4CYP2C9
SCHEMBL25465685 0.72 MAOB (0.43) ALOX5MEN1KMT2ATDP1POLB
SCHEMBL14576139 0.71 ALDH1A1 (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL508755 0.70 TRPM4 (1.00) TRPM4ALOX5MAPTTDP1POLB
SCHEMBL29399180 0.70 TRPM4 (1.00) TRPM4ALOX5MAPTTDP1POLB
SCHEMBL9080220 0.70 AKR1C3 (0.72) ALOX5MEN1KMT2ACYP3A4CYP2C9

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