SCHEMBL30228019

SCHEMBL30228019

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ AR P10275 11/20 0.40
▸ MAOB P27338 3/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 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
SCHEMBL30228109 0.93 KCNA3 (0.47) CA12CA9KCNA3ARMAOB
SCHEMBL30228351 0.89 CA12 (0.43) CA12CA9KCNA3ARMAOB
SCHEMBL30228486 0.81 KCNA3 (0.49) CA12CA9KCNA3ARMAOB
SCHEMBL30283726 0.78 ROCK1 (0.35) —
SCHEMBL30227920 0.76 KCNA3 (0.53) CA12CA9KCNA3ARMAOB
SCHEMBL30228381 0.72 KCNA3 (0.56) CA12CA9KCNA3MAOBNPC1
Hydrochloric Acid SCHEMBL30228355 0.71 KCNA3 (0.55) CA12CA9KCNA3MAOBNPC1
SCHEMBL30228517 0.70 KCNA3 (0.54) CA12CA9KCNA3MAOBNPC1
SCHEMBL30228231 0.69 KCNA3 (0.53) CA12CA9KCNA3MAOBNPC1
SCHEMBL31710481 0.69 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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