SCHEMBL29955536

SCHEMBL29955536

N#Cc1ccc(B(O)O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.37
TRPV4 Q9HBA0 1/20 0.35
ENPP2 Q13822 1/20 0.34
EGLN2 Q96KS0 5/20 0.33
TSHR P16473 1/20 0.31
NOTUM Q6P988 1/20 0.31
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
SCHEMBL561951 0.82 NOTUM (0.39) ARENPP2EGLN2TSHRNOTUM
SCHEMBL6651902 0.79 TRPV4 (0.48) ARTRPV4EGLN2TSHRUPP1
SCHEMBL9562009 0.79 LPL (0.35) ENPP2
SCHEMBL29951411 0.73 TRPV4 (0.34) ARTRPV4ENPP2
SCHEMBL385455 0.73 TRPV4 (0.34) ARTRPV4ENPP2
SCHEMBL3038859 0.73 KDM4E (0.33) TRPV4ENPP2
SCHEMBL30581690 0.73 TRPV4 (0.38) ARTRPV4ENPP2
SCHEMBL16052048 0.73 FFAR4 (0.38) ARTRPV4ENPP2
SCHEMBL29956185 0.73 FFAR4 (0.38) ARTRPV4ENPP2
SCHEMBL29957667 0.73 KDM4E (0.33) TRPV4ENPP2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed