SCHEMBL7800486

SCHEMBL7800486

C=CCNC(=O)c1cc(Br)ccc1Nc1ccc(I)cc1C.C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc(Cl)cc1C(=O)N(C)c1ccccc1.Cc1cc(I)ccc1Nc1ccc(I)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
CA1 P00915 3/20 0.37
KCNA5 P22460 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
AKR1C3 P42330 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HCRTR1 O43613 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TUBB P07437 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.33

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 0.89 MT-CO2 (0.32)
SCHEMBL7787200 0.89 PTGS2 (0.31) AKR1C3
SCHEMBL7784776 0.89 CA2 (0.43) CA2CA1MEN1KMT2ANPSR1
SCHEMBL7804341 0.84 CA2 (0.37) CA2CA1KCNA5SMN1; SMN2MEN1
SCHEMBL7802511 0.82 AKR1C3 (0.30) AKR1C3
SCHEMBL7784784 0.81 MT-CO2 (0.39) CA2CA1SMN1; SMN2MEN1KMT2A
SCHEMBL7941503 0.79 MT-CO2 (0.36) CA2CA1SMN1; SMN2MEN1KMT2A
SCHEMBL7943547 0.79 ALDH1A1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL6035717 0.78 CA2 (0.54) CA2CA1MEN1KMT2ANPSR1
SCHEMBL7787475 0.78 KMT2A (0.38) MEN1KMT2AAKR1C3KDM4EALDH1A1

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 5 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-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