SCHEMBL27601950

SCHEMBL27601950

O=C(Oc1ccc(F)cc1)c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL7995200 0.79 ALDH1A1 (0.53) KMT2AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6652692 0.78 ALDH1A1 (0.38) KMT2AMAPTKDM4EPOLBALDH1A1
SCHEMBL5258714 0.75 MAPT (0.66) KMT2AATMMAPTKDM4EPOLB
SCHEMBL724222 0.75 LTA4H (0.47) KMT2AATMMAPTKDM4EALDH1A1
SCHEMBL29111812 0.73 KMT2A (0.46) KMT2AATMMAPTKDM4EPOLB
SCHEMBL27754289 0.71 KMT2A (0.44) KMT2AATMMAPTKDM4EPOLB
SCHEMBL21722722 0.71 POLB (0.67) KMT2AATMMAPTKDM4EPOLB
SCHEMBL27935860 0.71 KDM4E (0.44) KMT2AATMMAPTKDM4EPOLB
SCHEMBL69204 0.70
SCHEMBL22134230 0.69

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
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed