SCHEMBL6646147

SCHEMBL6646147

Cc1c(S(=O)(=O)n2ncccc2=O)oc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.49
HTR6 P50406 1/20 0.42
MCL1 Q07820 1/20 0.40
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CLK1 P49759 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
GAA P10253 1/20 0.34
TNKS O95271 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL6646351 0.88 AKR1B1 (0.47) AKR1B1MAPTSMN1; SMN2
SCHEMBL3687096 0.72 AKR1B1 (0.56) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL3684433 0.71 MCL1 (0.56) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL6646151 0.67 AKR1B1 (0.60) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL13484254 0.66 AKR1B1 (0.65) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL690925 0.66 AKR1B1 (1.00) AKR1B1
SCHEMBL30977156 0.66 AKR1B1 (1.00) AKR1B1
SCHEMBL27598387 0.65 AKR1B1 (0.57) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL13211795 0.64 AKR1B1 (0.63) AKR1B1HTR6MCL1PKMRXFP1
SCHEMBL4451859 0.64 AKR1B1 (0.61) AKR1B1HTR6MCL1PKMRXFP1

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-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed