SCHEMBL8626641

SCHEMBL8626641

Nc1c(O)cc(N)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.58
HSP90AB1 P08238 3/20 0.58
IDO1 P14902 1/20 0.58
PSMB5 P28074 1/20 0.58
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MMP14 P50281 2/20 0.51
APAF1 O14727 1/20 0.51
TDP2 O95551 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
NSD2 O96028 1/20 0.47
CASP6 P55212 1/20 0.47
G6PD P11413 1/20 0.47
KDM4E B2RXH2 7/20 0.44
HTT P42858 6/20 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
5,6-Dihydroxy-8-Aminoquinoline SCHEMBL5640903 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL9308262 0.79 HSP90AA1 (0.73) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL1133269 0.77 HSP90AA1 (0.72) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL2355988 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL18455869 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL8627392 0.74 NSD2 (0.72) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL7915022 0.73 NR4A2 (0.55) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL688655 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL29721839 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL13313357 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1IDO1PSMB5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP disclosed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed