SCHEMBL29956520

SCHEMBL29956520

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.39
ERN1 O75460 2/20 0.38
P4HB P07237 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KIF11 P52732 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.35
ACLY P53396 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL921358 1.00 RAD51 (0.39) RAD51ERN1P4HBCA1CA2
SCHEMBL29642158 0.96 RAD51 (0.40) RAD51ERN1P4HBCA1CA2
SCHEMBL29956507 0.84 RAD51 (0.42) RAD51ERN1P4HBCA1CA2
SCHEMBL124629 0.84 RAD51 (0.42) RAD51ERN1P4HBCA1CA2
SCHEMBL15777270 0.81 CTSL (0.36) RAD51ERN1P4HBCA1CA2
SCHEMBL1477364 0.81 CYP11B1 (0.40) ERN1
SCHEMBL23407049 0.80 ERN1 (0.38) ERN1CA1CA2
SCHEMBL2693856 0.80 KIF11 (0.36) RAD51P4HBCA2KIF11HSD17B14
SCHEMBL16956501 0.80 P4HB (0.38) RAD51P4HBCA2KIF11HSD17B14
SCHEMBL7195384 0.78 RAD51 (0.40) RAD51CA1CA2

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