SCHEMBL7940289

SCHEMBL7940289

Nc1ccc2oc3ccccc3cc-2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
POLB P06746 1/20 0.54
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MAPT P10636 4/20 0.48
RAB9A P51151 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MAOB P27338 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 5/20 0.44
HPGD P15428 4/20 0.44
TP53 P04637 3/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL8666409 0.82 NPC1 (0.51) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL9160537 0.80 RAB9A (0.47) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL321929 0.80 MAOB (0.47) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL8596566 0.78 PTPRC (0.46) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL9271061 0.76 MAOB (0.44) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL9413608 0.76 MAOB (0.44) SMN1; SMN2POLBNCOA1NCOA3MAPT
SCHEMBL9160974 0.76 CYP1A1 (0.51) SMN1; SMN2MAPTRAB9AALDH1A1MAOB
SCHEMBL8962088 0.76 MAOB (0.58) SMN1; SMN2POLBMAPTRAB9AALDH1A1
SCHEMBL6896489 0.75 ALDH1A1 (0.48) POLBMAPTRAB9AALDH1A1MAOB
SCHEMBL29715080 0.74 MAOB (0.51) SMN1; SMN2POLBNCOA1NCOA3MAPT

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-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US claimed