SCHEMBL9195206

SCHEMBL9195206

O=C(O)Cc1nn(CC(=S)Nc2cc(C(F)(F)F)ccc2Br)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 20/20 1.00
▸ AKR1B10 O60218 1/20 0.52
▸ AKR1A1 P14550 1/20 0.52
▸ GLO1 Q04760 1/20 0.52

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
SCHEMBL9200165 0.91 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9199872 0.88 AKR1B1 (0.79) AKR1B1
SCHEMBL9198976 0.79 AKR1B1 (0.78) AKR1B1
SCHEMBL9212517 0.73 KMT2A (0.79) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9218605 0.73 AKR1B1 (0.65) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9327258 0.73 MAPT (0.78) AKR1B1
SCHEMBL8956786 0.72 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL8956759 0.72 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL8956792 0.72 AKR1B1 (0.66) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9325762 0.71 AKR1B1 (0.64) AKR1B1AKR1B10AKR1A1GLO1

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
EP-0436307-B1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1995-02-22 — — EP disclosed
US-5304557-A Aldose reductase inhibitor PFIZER INC. (US) 1994-04-19 — — US disclosed
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