SCHEMBL7784776

SCHEMBL7784776

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(I)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7784784 0.90 MT-CO2 (0.39) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL7800486 0.89 CA2 (0.37) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL6035717 0.89 CA2 (0.54) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL7804341 0.87 CA2 (0.37) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL6035369 0.86 CA1 (0.52) CA2CA1MEN1KMT2ANPSR1
SCHEMBL6036049 0.83 MAPT (0.43) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7787570 0.82 AKR1C3 (0.33) AKR1C3
SCHEMBL6036121 0.82 MEN1 (0.55) CA2CA1MEN1KMT2ANPSR1
SCHEMBL7794482 0.81 CA2 (0.38) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL6035265 0.80 TP53 (0.46) ALDH1A1NPSR1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
EP-1140067-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed
WO-2000040237-A1 ANTIVIRAL METHOD USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO disclosed