SCHEMBL17712565

SCHEMBL17712565

COc1cc(OCc2ccccn2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
AURKB Q96GD4 1/20 0.54
INCENP Q9NQS7 1/20 0.54
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50

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
SCHEMBL16485445 0.82 KDM4E (0.58) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL1073540 0.80 SYK (0.68) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL791890 0.79 FFAR1 (0.61) SYKAURKBINCENPABCB1HTR1A
SCHEMBL4856658 0.78 SYK (0.53) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL28025324 0.78 SYK (0.59) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL28153213 0.78 KDM4E (0.53) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL15271054 0.77 SMN1; SMN2 (0.57) SYKSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL15475165 0.77 ALDH1A1 (0.59) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL26580976 0.77 KDM4E (0.51) SYKSMN1; SMN2AURKBINCENPKDM4E
SCHEMBL15474712 0.76 SYK (0.53) SYKSMN1; SMN2AURKBINCENPKDM4E

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-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP claimed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO claimed