SCHEMBL9899803

SCHEMBL9899803

COc1ccc2c3c(oc2c1)C=NCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
STAT1 P42224 1/20 0.43
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO1 P15559 1/20 0.41

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
SCHEMBL10385907 0.73 TAAR1 (0.36) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL21807606 0.72 KDM4E (0.43) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL21807609 0.72 KDM4E (0.43) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL3144077 0.71 MAPT (0.52) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL7097279 0.70 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
Cgs-19281A SCHEMBL29769895 0.69 KDM4E (0.58) KDM4EMAPTMEN1CYP3A4KMT2A
Cgs-19281A SCHEMBL2930783 0.69 KDM4E (0.58) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL31355003 0.68 HTR6 (0.57) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL25897440 0.68 HTR6 (0.57) KDM4EMAPTMEN1CYP3A4KMT2A
SCHEMBL85996 0.68 MAOB (0.62) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1

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
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO disclosed