SCHEMBL6946336

SCHEMBL6946336

COc1cc2nc(-c3ccc(C(=O)O)cc3)sc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
RAB9A P51151 6/20 0.59
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 5/20 0.59
HPGD P15428 5/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 1/20 0.59
ATM Q13315 1/20 0.59
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56

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
SCHEMBL572533 0.86 MAPT (0.55) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL9797066 0.85 KDM4E (0.71) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL13806230 0.81 AHR (0.68) PDGFRBPDGFRAAHRSULT1A1
SCHEMBL9435301 0.81 KDM4E (0.57) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL11335745 0.81 MAPT (0.51) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL1608797 0.80 ILK (0.53) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL21708400 0.79 NPC1 (0.66) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL5028038 0.79 MAPT (0.64) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL7053654 0.77 SMN1; SMN2 (0.56) KDM4ERAB9AMAPTSMN1; SMN2NPC1
SCHEMBL9797268 0.77 KDM4E (0.88) KDM4ERAB9AMAPTSMN1; SMN2NPC1

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-0808829-B1 Fluorescent group-containing carbodiimide compound NISSHIN SPINNING (JP) 2003-04-09 EP disclosed
US-5856479-A LABEL FOR NUCLEIC ACID DETECTION, IMMUNOASSAY OR CHEMILUMINESCENCE NISSHINBO INDUSTRIES, INC. (JP) 1999-01-05 US disclosed
EP-0808829-A1 Fluorescent group-containing carbodiimide compound NISSHINBO INDUSTRIES, INC. (JP) 1997-11-26 EP disclosed