SCHEMBL5031699

SCHEMBL5031699

CC(C)Cc1nc2ccc(C=O)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
AAK1 Q2M2I8 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
LDHA P00338 1/20 0.40
GSK3B P49841 1/20 0.39
KCNJ1 P48048 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 2/20 0.39
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4246422 0.88 MAPT (0.50) KDM4EMAPTAAK1KMT2AMAPK1
SCHEMBL7649879 0.80 TDP1 (0.59) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL7656691 0.77 KMT2A (0.47) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL4246459 0.77 KDM4E (0.53) KDM4EKMT2APOLBALDH1A1CYP1A2
SCHEMBL11910531 0.77 KDM4E (0.66) KDM4EMAPTKMT2AALDH1A1MAPK1
SCHEMBL12763768 0.77 KDM4E (0.66) KDM4EMAPTAAK1KMT2APOLB
SCHEMBL13931447 0.75 SMN1; SMN2 (0.42) KDM4EKMT2APOLBALDH1A1KCNJ1
SCHEMBL5029790 0.75 KDM4E (0.62) KDM4EMAPTAAK1KMT2APOLB
SCHEMBL4230805 0.74 ALDH1A1 (0.56) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL7654762 0.73 HTT (0.64) KDM4EMAPTKMT2APOLBMAPK1

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
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed