SCHEMBL13820347

SCHEMBL13820347

O=C(NCc1cc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)cs1)c1ccc(I)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.65
▸ MAPK10 P53779 1/20 0.65
▸ LMNA P02545 7/20 0.51
▸ USP2 O75604 5/20 0.51
▸ TSHR P16473 5/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ BAP1 Q92560 1/20 0.51
▸ GAA P10253 4/20 0.48
▸ GLA P06280 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GALK1 P51570 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL13198016 0.92 MAPK9 (0.77) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL1518774 0.79 MAPK9 (1.00) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2425364 0.77 MAPK9 (0.80) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2422218 0.76 MAPK9 (0.80) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL4204314 0.74 MAPK9 (0.73) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2419722 0.74 MAPK9 (0.77) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2428102 0.73 MAPK9 (0.73) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2419679 0.73 MAPK9 (0.72) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL2425344 0.73 MAPK9 (0.75) MAPK9MAPK10LMNAUSP2TSHR
SCHEMBL6431760 0.72 MAPK9 (0.71) MAPK9MAPK10LMNAUSP2TSHR

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
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 — — US disclosed
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