SCHEMBL6883170

SCHEMBL6883170

COCCOc1ccc([NH])cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 2/20 0.44
PRSS1 P07477 3/20 0.42
RAB9A P51151 1/20 0.39
NQO1 P15559 1/20 0.39
PKM P14618 1/20 0.38
ACACB O00763 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8339774 0.88 MAPT (0.52) KDM4ERECQLMAPTPRSS1RAB9A
SCHEMBL5311543 0.82 KDM4E (0.44) KDM4ERECQLMAPTPRSS1RAB9A
SCHEMBL12703538 0.81 KDM4E (0.61) KDM4ERECQLMAPTL3MBTL1
SCHEMBL3611926 0.81 KDM4E (0.61) KDM4ERECQLMAPTL3MBTL1
SCHEMBL13554406 0.81 CYP3A4 (0.50) KDM4ERECQLMAPT
SCHEMBL12093635 0.81 CA12 (0.55) KDM4EMAPTRAB9AL3MBTL1
SCHEMBL1805600 0.79 LTA4H (0.57) RAB9A
SCHEMBL294683 0.79 LTA4H (0.55) KDM4EMAPTRAB9ANQO1L3MBTL1
SCHEMBL6445608 0.79 DRD2 (0.55) KDM4ERECQLMAPTL3MBTL1
SCHEMBL10729488 0.78 IDO1 (0.59) KDM4ERECQLMAPTACACB

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
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed