SCHEMBL7127830

SCHEMBL7127830

O=S(=O)(c1cccc2cccnc12)C1Cc2cc[c]cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
APOBEC3G Q9HC16 2/20 0.40
TSHR P16473 2/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL28619926 0.69 MAPK1 (0.50) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL4812367 0.67 TSHR (0.73) MAPK1L3MBTL1GAAALDH1A1KDM4E
SCHEMBL7180056 0.66 MAPK1 (0.70) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL8485302 0.66 MAPK1 (0.53) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL5247202 0.63 L3MBTL1 (0.46) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL27592567 0.63 MAPK1 (0.70) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL4617096 0.61 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL50688 0.61 MAPK1 (1.00) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL51046 0.61 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1
SCHEMBL11679037 0.61 MAPK1 (0.68) MAPK1CA1CA2CA9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed