SCHEMBL24338705

SCHEMBL24338705

COC(=O)c1cc(O)c([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
SIRT6 Q8N6T7 1/20 0.42
GAA P10253 2/20 0.41
VCAM1 P19320 1/20 0.40
TTR P02766 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TPMT P51580 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 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
SCHEMBL21801654 0.94 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11922558 0.88 TDP1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1560111 0.87 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL9490047 0.87 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25935163 0.84 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2895340 0.84 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2247382 0.84 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1560704 0.83 HTT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20594284 0.83 PDGFRB (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL18863803 0.82 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed