SCHEMBL29951564

SCHEMBL29951564

Cc1ccc(CC=O)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PKM P14618 1/20 0.30
PKLR P30613 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL6927858 0.82 MPO (0.35) PKM
SCHEMBL8232131 0.80 CTSS (0.36) P2RX7HTTHPGDCTSSCTSK
SCHEMBL14211944 0.79 GABRA1 (0.34) P2RX7KDM5AKDM5B
SCHEMBL6864278 0.78 CTSL (0.39) P2RX7CTSSCTSKCTSL
SCHEMBL8190076 0.78 P2RX7 (0.39) P2RX7HTTHPGDKDM5AKDM5B
SCHEMBL14211941 0.78 P2RX7 (0.32) P2RX7
SCHEMBL18953972 0.75 KDM1A (0.32)
SCHEMBL5582602 0.75
SCHEMBL29956079 0.75
SCHEMBL19887771 0.75 P2RX7 (0.40) P2RX7HTTHPGDKDM5AKDM5B

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