SCHEMBL7804341

SCHEMBL7804341

C=CCNC(=O)c1cc(Cl)ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NC1CC1.Cc1cc(I)ccc1Nc1ccc(F)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
MT-CO2 P00403 2/20 0.35
TOP1 P11387 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
CCR2 P41597 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
SLC10A6 Q3KNW5 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL7938680 0.90 MT-CO2 (0.32) MT-CO2TOP1
SCHEMBL7787200 0.89 PTGS2 (0.31)
SCHEMBL7794482 0.89 CA2 (0.38) CA2CA1MT-CO2TOP1SMN1; SMN2
SCHEMBL7784776 0.87 CA2 (0.43) CA2CA1ALDH1A1GAAMAPT
SCHEMBL7787570 0.87 AKR1C3 (0.33) SMN1; SMN2LMNAHTT
SCHEMBL7784784 0.87 MT-CO2 (0.39) CA2CA1MT-CO2TOP1SMN1; SMN2
SCHEMBL7800486 0.84 CA2 (0.37) CA2CA1SMN1; SMN2NLRP3ALDH1A1
SCHEMBL7932216 0.83 AKR1C3 (0.31) CA2CA1
SCHEMBL7802511 0.83 AKR1C3 (0.30)
SCHEMBL7784773 0.78 MAPT (0.36) MT-CO2TOP1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP disclosed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO disclosed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO disclosed