SCHEMBL14628462

SCHEMBL14628462

Nc1c(Cl)cccc1Nc1nc2ccc(S(N)(=O)=O)c(C(=O)O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.37
CA1 P00915 6/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PBRM1 Q86U86 1/20 0.34
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
CXCR2 P25025 2/20 0.32
POLB P06746 1/20 0.32
CX3CR1 P49238 1/20 0.32
GAA P10253 1/20 0.32
EGFR P00533 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
SCHEMBL13989934 0.91 MEN1 (0.45) CA2CA1LMNAKDM4EMEN1
SCHEMBL2932570 0.80 MAPT (0.42) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL13176992 0.78 LMNA (0.38) CA2CA1LMNAPBRM1CA9
SCHEMBL2927954 0.77 MAPT (0.39) ALDH1A1KMT2APBRM1CXCR2
SCHEMBL13176993 0.75 P2RX7 (0.42) LMNAMEN1KMT2A
SCHEMBL1115893 0.73 MAPT (0.42) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL13989967 0.71 P2RX7 (0.42) MEN1ALDH1A1KMT2AFABP3FABP4
SCHEMBL2924883 0.71 MAPT (0.44) LMNAMEN1ALDH1A1KMT2APBRM1
SCHEMBL2931556 0.69 MAPT (0.39) MEN1KMT2AFABP3FABP4POLB
SCHEMBL13177150 0.69 PBRM1 (0.47) LMNAMEN1ALDH1A1KMT2APBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007009774-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2007-01-25 WO disclosed