SCHEMBL11096231

SCHEMBL11096231

N#CCc1nc2cc(Oc3ccccc3)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.43
HPGD P15428 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.38
SCN4A P35499 1/20 0.38
SCN9A Q15858 1/20 0.38
BCL2 P10415 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
SCHEMBL11100119 0.89 NPC1 (0.58) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL201697 0.82 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11587907 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL14788107 0.82 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL20718744 0.78 KMT2A (0.44) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL28238492 0.78 UBE2T (0.58) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12212189 0.76 LIPG (0.66) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL76564 0.76 UBE2T (0.59) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL30010006 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL11584549 0.74 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1

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-0023022-B1 COUMARINE COMPOUNDS, PROCESSES FOR THEIR MANUFACTURE AS WELL AS THE INTERMEDIATE PRODUCTS USED PERSE AND THEIR UTILISATION FOR THE DYEING OR PRINTING OF TEXTILES CIBA-GEIGY AG (CH) 1984-04-11 EP disclosed
EP-0023022-A2 Coumarine compounds, processes for their manufacture as well as the intermediate products used perse and their utilisation for the dyeing or printing of textiles CIBA-GEIGY AG (CH) 1981-01-28 EP disclosed