SCHEMBL29956507

SCHEMBL29956507

N#Cc1ccc(C=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KIF11 P52732 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 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
SCHEMBL124629 1.00 RAD51 (0.42) RAD51CA1CA2KIF11GABRP
SCHEMBL31124554 0.89 FFAR1 (0.36) RAD51KIF11P4HBERN1
SCHEMBL29956520 0.84 RAD51 (0.39) RAD51CA1CA2KIF11HSD17B14
SCHEMBL921358 0.84 RAD51 (0.39) RAD51CA1CA2KIF11HSD17B14
SCHEMBL29642158 0.81 RAD51 (0.40) RAD51CA1CA2KIF11HSD17B14
SCHEMBL23835197 0.80 RAD51 (0.39) RAD51KIF11PIN1MEN1KMT2A
SCHEMBL1165506 0.80 ERN1 (0.34) CA1CA2MEN1KMT2AERN1
SCHEMBL31159880 0.80 RAD51 (0.39) RAD51KIF11PIN1MEN1KMT2A
SCHEMBL4680994 0.79 RAD51 (0.40) RAD51CA1CA2PIN1MEN1
SCHEMBL4680996 0.79 RAD51 (0.40) RAD51CA1CA2PIN1MEN1

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