SCHEMBL9541301

SCHEMBL9541301

O=Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 7/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ TRAP1 Q12931 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CHRM5 P08912 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
SCHEMBL9218443 0.84 AKR1B1 (0.50) AKR1B1KMT2ACYP1A2CYP2C9MEN1
Ponalrestat SCHEMBL29498248 0.78 AKR1B1 (1.00) AKR1B1KMT2ACYP1A2CYP2C9MEN1
Ponalrestat SCHEMBL49154 0.78 AKR1B1 (1.00) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL9218424 0.78 AKR1B1 (0.70) AKR1B1KMT2ACYP1A2CYP2C9MEN1
Ponalrestat SCHEMBL30350285 0.78 AKR1B1 (1.00) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL11175078 0.77 AKR1B1 (0.82) AKR1B1KMT2ACYP1A2CYP2C9MEN1
Ponalrestat SCHEMBL11166654 0.77 AKR1B1 (0.80) AKR1B1KMT2ACYP1A2CYP2C9MEN1
Ponalrestat SCHEMBL10702188 0.77 AKR1B1 (0.80) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL9216124 0.76 AKR1B1 (0.66) AKR1B1KMT2ACYP1A2CYP2C9MEN1
SCHEMBL10353490 0.76 AKR1B1 (0.57) AKR1B1KMT2ACYP1A2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013092-A1 IMIDAZOLIDINEDIONE DERIVATIVES SARGES REINHARD (US) 1993-07-08 — — WO disclosed
US-5011840-A Imidazolidinedione derivatives in diabetes treatment PFIZER INC. (US) 1991-04-30 — — US disclosed
EP-0269355-B1 IMIDAZOLIDINEDIONE DERIVATIVES PFIZER INC. (US) 1991-04-10 — — EP disclosed
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