SCHEMBL25826341

SCHEMBL25826341

Cc1ncc(CC#N)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA4 P43681 4/20 0.38
KCNH2 Q12809 7/20 0.35
ENPP2 Q13822 1/20 0.33
FLT3 P36888 2/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP3 P08254 1/20 0.31
VNN1 O95497 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21400936 0.83 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4KCNH2
SCHEMBL25990980 0.79 CYP11B1 (0.42) CYP11B1CYP11B2ENPP2FLT3KDM4E
SCHEMBL29911963 0.78 CSNK2A1 (0.34) CYP11B1CYP11B2FLT3KDM4ETDP1
SCHEMBL17785010 0.78 CYP11B1 (0.41) CYP11B1CYP11B2FLT3KDM4ETDP1
SCHEMBL31326218 0.76 CYP11B1 (0.39) CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL15334773 0.74 KDM4E (0.39) CYP11B1CYP11B2ENPP2KDM4EMMP3
SCHEMBL7215518 0.74 CHRNB2 (0.42) CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL24147885 0.74 CYP11B1 (0.41) CYP11B1CYP11B2KDM4E
SCHEMBL25826351 0.74 AR (0.35) CYP11B1CYP11B2KDM4E
SCHEMBL15334775 0.73 TSHR (0.43) CYP11B1CYP11B2ENPP2KDM4EMMP3

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-20230240138-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230232712-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-20 US disclosed