SCHEMBL30669448

SCHEMBL30669448

C=C(C)Cc1c(C(=O)OC)ccc([N+](=O)[O-])c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
G6PD P11413 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
SCHEMBL10319562 1.00 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1PDGFRBFGFR1
SCHEMBL29164219 0.89 PDGFRB (0.44) ALDH1A1MAPTMAPK1PDGFRBFGFR1
SCHEMBL4993186 0.82 PDGFRB (0.42) ALDH1A1MAPTMAPK1PDGFRBFGFR1
SCHEMBL29164229 0.80 PDGFRB (0.43) ALDH1A1MAPTMAPK1PDGFRBFGFR1
SCHEMBL2699920 0.79 PDGFRB (0.45) ALDH1A1MAPTMAPK1PDGFRBFGFR1
SCHEMBL27883380 0.78 SIRT6 (0.48) ALDH1A1MAPTPDGFRBFGFR1PDGFRA
SCHEMBL8057515 0.78 MAPT (0.40) ALDH1A1MAPTMAPK1KDM4ESMN1; SMN2
SCHEMBL21955292 0.78 CA1 (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL12035936 0.78 POLB (0.39) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL2698796 0.77 LMNA (0.44) ALDH1A1MAPTMAPK1PDGFRBFGFR1

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-117105916-B Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-117105916-A Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2023-11-24 CN disclosed