SCHEMBL31371566

SCHEMBL31371566

COC(=O)c1cc([N+](=O)[O-])c(C)cc1Oc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 5/20 0.52
▸ TDP1 Q9NUW8 2/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL31371422 0.81 BRD4 (0.43) ATMMAPTALDH1A1BRD4
SCHEMBL15770914 0.81 HSPB1 (0.51) HSPB1TDP1L3MBTL1ATMKMT2A
SCHEMBL4851442 0.80 TDP1 (0.65) HSPB1TDP1L3MBTL1ATMKMT2A
SCHEMBL2443486 0.79 HSPB1 (0.58) HSPB1TDP1L3MBTL1ATMKMT2A
SCHEMBL29549341 0.79 HSPB1 (0.58) HSPB1TDP1L3MBTL1ATMKMT2A
SCHEMBL10960022 0.79 HSPB1 (0.68) HSPB1TDP1L3MBTL1ATMKMT2A
SCHEMBL12164843 0.78 PDGFRB (0.55) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30837492 0.78 PDGFRB (0.55) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12108924 0.78 PDGFRB (0.55) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1365383 0.78 L3MBTL1 (0.54) HSPB1TDP1L3MBTL1MAPTSMN1; SMN2

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-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 — — WO disclosed
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