SCHEMBL4359829

SCHEMBL4359829

NC(=O)c1ccccc1Cn1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.58
CYP11B2 P19099 6/20 0.58
HRH3 Q9Y5N1 1/20 0.55
TNF P01375 2/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
EGLN3 Q9H6Z9 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 3/20 0.49
BRD4 O60885 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
APAF1 O14727 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2884381 0.87 CYP11B1 (0.60) CYP11B1CYP11B2HRH3TNFKDM4E
SCHEMBL9337493 0.85 MET (0.43) CYP11B1CYP11B2HRH3BRD4SMN1; SMN2
SCHEMBL4142913 0.81 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30826274 0.81 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
Bromide SCHEMBL31253900 0.80 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
Hydrochloric Acid SCHEMBL31253891 0.80 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL23781850 0.80 CYP11B1 (0.55) CYP11B1CYP11B2HRH3TNFKDM4E
SCHEMBL8618130 0.77 CYP11B1 (0.67) CYP11B1CYP11B2TNFEGLN3HDAC1
SCHEMBL28996363 0.77 CYP11B1 (0.67) CYP11B1CYP11B2TNFHDAC1HDAC6
SCHEMBL9302460 0.77 HDAC1 (0.71) CYP11B1CYP11B2HRH3TNFKDM4E

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
US-20090209046-A1 Neutral Pharmaceuticals MOULTON BRIAN DOUGLAS 2009-08-20 US disclosed
WO-2007139731-A1 NEUTRAL PHARMACEUTICALS BROWN UNIVERSITY (US) 2007-12-06 WO disclosed