SCHEMBL30228351

SCHEMBL30228351

[2H]C([2H])([2H])c1ccccc1-c1cc(=O)oc2cc(COC(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ KCNA3 P22001 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ ALOX5 P09917 3/20 0.39
▸ AR P10275 6/20 0.39
▸ MAOA P21397 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ SORD Q00796 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL30228486 0.92 KCNA3 (0.49) CA12CA9KCNA3MAOBALOX5
SCHEMBL30228019 0.89 CA12 (0.41) CA12CA9KCNA3MAOBALOX5
SCHEMBL30228109 0.81 KCNA3 (0.47) CA12CA9KCNA3MAOBALOX5
SCHEMBL30227920 0.78 KCNA3 (0.53) CA12CA9KCNA3MAOBAR
SCHEMBL30283845 0.77 ROCK1 (0.36) —
SCHEMBL30228381 0.74 KCNA3 (0.56) CA12CA9KCNA3MAOBMAOA
Hydrochloric Acid SCHEMBL30228355 0.73 KCNA3 (0.55) CA12CA9KCNA3MAOBMAOA
SCHEMBL30228517 0.72 KCNA3 (0.54) CA12CA9KCNA3MAOBMAOA
SCHEMBL30228231 0.71 KCNA3 (0.53) CA12CA9KCNA3MAOBMAOA
SCHEMBL31710481 0.70 KCNA3 (0.52) CA12CA9KCNA3MAOBMAOA

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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