SCHEMBL9952969

SCHEMBL9952969

CC(C)Cn1c(N)nc2ccc(Br)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.45
CACNA2D1 P54289 9/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 1/20 0.41
OPRM1 P35372 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
SCHEMBL10289136 0.85 CACNA2D1 (0.51) MEN1KMT2AATMCACNA2D1OPRM1
SCHEMBL31241091 0.82 CACNA2D1 (0.47) MEN1KMT2AALDH1A1ATMCACNA2D1
SCHEMBL9954332 0.82 PTGS2 (0.45) DPP4MEN1KMT2AATMCACNA2D1
SCHEMBL989394 0.80 DYRK3 (0.46) KMT2A
SCHEMBL9953325 0.79 HSD17B10 (0.49) MEN1KMT2AALDH1A1ATMTSHR
SCHEMBL9953300 0.77 PDE5A (0.46) DPP4MEN1KMT2AALDH1A1ATM
SCHEMBL31241110 0.77 PDE5A (0.46) DPP4MEN1KMT2AALDH1A1ATM
SCHEMBL9954631 0.76 KMT2A (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1ATM
SCHEMBL9953607 0.75 KMT2A (0.58) MEN1KMT2AALDH1A1HSD17B10TDP1
SCHEMBL9954292 0.74 PTGS2 (0.49) MEN1KMT2AATM

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed