SCHEMBL11629633

SCHEMBL11629633

CC(C)Oc1ccccc1-c1ncc(C#N)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.50
GCK P35557 1/20 0.48
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.40
XDH P47989 2/20 0.40
PTGES O14684 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL11628746 0.88 MAPK1 (0.44) PDE5AGCKMAPK1HTTXDH
SCHEMBL11625206 0.86 HTT (0.54) PDE5AMAPK1HTTPTGES
SCHEMBL11630723 0.85 PDE5A (0.47) PDE5AGCKMAPK1XDHGUSB
SCHEMBL11625024 0.84 PDE5A (0.56) PDE5AMAPK1GUSB
SCHEMBL11628419 0.81 PDE5A (0.56) PDE5AALOX15HSD17B10
SCHEMBL11626841 0.81 PDE5A (0.52) PDE5AALOX15
SCHEMBL11628099 0.79 PDE5A (0.46) PDE5AXDHGUSB
SCHEMBL11626668 0.78 PDE5A (0.49) PDE5AXDHGUSB
SCHEMBL11629185 0.78 PDE5A (0.42) PDE5AMAPK1HTTPTGESGUSB
SCHEMBL11708696 0.78 PDE5A (0.51) PDE5AALOX15HSD17B10

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
US-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed