SCHEMBL11318893

SCHEMBL11318893

Nc1nc(OCc2ccccc2)ns1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
CYP3A4 P08684 3/20 0.46
MAOB P27338 3/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
MGMT P16455 3/20 0.41
CDK1 P06493 2/20 0.41

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
SCHEMBL25465497 0.76 L3MBTL1 (0.40) SMN1; SMN2MAOBGAAL3MBTL1MAPT
SCHEMBL11009131 0.75 TSHR (0.52) RAB9ASMN1; SMN2CYP3A4MAOBGAA
SCHEMBL31729010 0.75 TSHR (0.50) RAB9ASMN1; SMN2ALOX15CYP3A4MAOB
SCHEMBL20466992 0.74 NOS1 (0.36) RAB9ASMN1; SMN2MAOBMAOAALOX5
SCHEMBL808424 0.74 MGMT (0.53) RAB9ASMN1; SMN2CYP3A4MAOBGAA
SCHEMBL28554110 0.72 TSHR (0.44) RAB9ASMN1; SMN2L3MBTL1ADORA3LTA4H
SCHEMBL26483961 0.71 ALDH1A1 (0.44) RAB9ASMN1; SMN2ALOX15MAPTLTA4H
SCHEMBL17010218 0.71 MAOB (0.55) RAB9ASMN1; SMN2MAOBGAAL3MBTL1
SCHEMBL11230774 0.71 ALOX5 (0.44) RAB9ASMN1; SMN2CYP3A4MAOBGAA
SCHEMBL6644771 0.70 LTA4H (0.49) RAB9ASMN1; SMN2CYP3A4MAOBGAA

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
US-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed