SCHEMBL9308262

SCHEMBL9308262

Nc1cc(N)c2ncccc2c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.73
HSP90AB1 P08238 2/20 0.73
MMP14 P50281 3/20 0.62
IDO1 P14902 2/20 0.55
PSMB5 P28074 1/20 0.55
NSD2 O96028 1/20 0.49
CASP6 P55212 1/20 0.49
G6PD P11413 1/20 0.49
KDM4E B2RXH2 7/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 5/20 0.49
MAPT P10636 5/20 0.49
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
LMNA P02545 4/20 0.49
SLC6A2 P23975 4/20 0.49
ALOX15 P16050 3/20 0.49

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
5,6-Dihydroxy-8-Aminoquinoline SCHEMBL5640903 0.87 HSP90AA1 (0.61) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL12192928 0.80 NSD2 (0.68) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL8626641 0.79 HSP90AA1 (0.58) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL687239 0.77 HSP90AA1 (0.58) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL4467681 0.77 KDM4E (0.72) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL30153812 0.77 KDM4E (0.72) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL4457883 0.77 HSP90AA1 (0.72) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL12292143 0.77 HSP90AA1 (0.72) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL2110200 0.77 MMP14 (1.00) HSP90AA1HSP90AB1MMP14IDO1PSMB5
SCHEMBL18455869 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1MMP14IDO1PSMB5

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-5350424-A Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-09-27 US disclosed
EP-0593038-A1 Dyestuff composition for the gradual dyeing of hair by atmospheric oxidation and process using the same COMBE INCORPORATED (US) 1994-04-20 EP disclosed