SCHEMBL21396882

SCHEMBL21396882

N#Cc1ccc(C#N)c(C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.41
EGLN2 Q96KS0 4/20 0.33
AR P10275 3/20 0.33
PGR P06401 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B2 P19099 4/20 0.32
CYP11B1 P15538 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
UPP1 Q16831 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
SCHEMBL7861734 0.85 TRPV4 (0.43) TRPV4EGLN2ESR1ESR2CYP11B2
SCHEMBL9490088 0.85 TRPV4 (0.43) TRPV4EGLN2ESR1ESR2CYP11B2
SCHEMBL6651902 0.83 TRPV4 (0.48) TRPV4EGLN2ARCYP11B2CYP11B1
SCHEMBL17545789 0.81 TSHR (0.41) TRPV4EGLN2ARCYP11B2CYP11B1
SCHEMBL8811100 0.81 ESR1 (0.42) TRPV4ARPGRESR1ESR2
SCHEMBL16122475 0.81 TRPV4 (0.36) TRPV4EGLN2CYP11B2CYP11B1MAOA
SCHEMBL152358 0.80 TSHR (0.39) TRPV4ARPGRMAOAMAOB
SCHEMBL31399295 0.80 TSHR (0.39) TRPV4ARPGRMAOAMAOB
SCHEMBL15442788 0.77 TRPV4 (0.45) TRPV4EGLN2ESR1ESR2CYP11B2
SCHEMBL16122424 0.77 ALDH1A1 (0.50) ARMAOAMAOB

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-11367837-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-06-21 US disclosed
US-20190296256-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-09-26 US disclosed