SCHEMBL13176992

SCHEMBL13176992

Nc1c(Cl)cccc1Nc1nc2ccc(SCc3ccccc3)c(C(=O)O)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
EGLN1 Q9GZT9 2/20 0.36
AR P10275 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CTSB P07858 1/20 0.34
TOP2A P11388 1/20 0.34
PPARG P37231 2/20 0.34
METAP2 P50579 2/20 0.33
PBRM1 Q86U86 1/20 0.33
HDAC1 Q13547 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2925046 0.91 MAPT (0.39) LMNAEGLN1ARMRGPRX4CTSB
SCHEMBL2931417 0.82 MAPT (0.39) LMNAMETAP2MAPT
SCHEMBL14628462 0.78 CA2 (0.37) LMNAPBRM1CA12CA1CA2
SCHEMBL2924883 0.75 MAPT (0.44) LMNAPBRM1MAPK1FABP3FABP4
SCHEMBL2927954 0.71 MAPT (0.39) EGLN1PBRM1MAPT
SCHEMBL1115893 0.70 MAPT (0.42) LMNAPBRM1FABP3FABP4MAPT
SCHEMBL13176993 0.70 P2RX7 (0.42) LMNAARHIF1AMAPT
SCHEMBL13989934 0.69 MEN1 (0.45) LMNAPBRM1MAPK1CA12CA1
SCHEMBL15143413 0.68 PTPRG (0.51) ARMRGPRX4PPARGPBRM1CA12
SCHEMBL13177150 0.68 PBRM1 (0.47) LMNAARPBRM1HIF1AFABP3

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
EP-1910314-B1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2010-09-15 EP disclosed