SCHEMBL3841604

SCHEMBL3841604

CCOC(=O)Oc1nn(Cc2ccccc2F)c2nccn12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PDE5A O76074 6/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
BUB1 O43683 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNRHR P30968 1/20 0.36
P2RY14 Q15391 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3838222 0.83 KMT2A (0.43) KMT2AALDH1A1KDM4EPOLBPDE5A
SCHEMBL596647 0.83 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EPOLBPDE5A
SCHEMBL3953305 0.73 PDE5A (0.54) PDE5ALMNA
SCHEMBL5766056 0.72 KMT2A (0.46) KMT2AALDH1A1KDM4EPOLBPDE5A
SCHEMBL2921176 0.70 SMN1; SMN2 (0.52) KMT2AALDH1A1KDM4EPOLBMAPK1
SCHEMBL16082690 0.69 SMN1; SMN2 (0.52) KMT2AALDH1A1KDM4EPOLBMAPK1
SCHEMBL29831320 0.69 SMN1; SMN2 (0.52) KMT2AALDH1A1KDM4EPOLBMAPK1
SCHEMBL17610985 0.68 P2RY14 (0.50) KMT2AALDH1A1KDM4EPOLBCYP1A2
SCHEMBL17610956 0.68 SMN1; SMN2 (0.47) KMT2AALDH1A1KDM4EPOLBMAPK1
SCHEMBL596745 0.68 ADORA2A (0.46) KMT2AALDH1A1MEN1

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-2097417-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-09 EP disclosed
WO-2008061657-A1 NOVEL AZA-BICYCLIC COMPOUNDS AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-29 WO disclosed