SCHEMBL29952682

SCHEMBL29952682

N#Cc1c(B(O)O)cccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.37
P2RX7 Q99572 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 4/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 3/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1409424 1.00 AR (0.37) ARP2RX7SLC22A12KDM4EALDH1A1
SCHEMBL1906819 0.80 AR (0.43) ARSLC22A12KDM4EALDH1A1GAA
SCHEMBL8118463 0.76 AR (0.46) ARSLC22A12KDM4EALDH1A1GAA
SCHEMBL4966189 0.76 KDM4E (0.44) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL8047261 0.76 AR (0.50) ARP2RX7SLC22A12KDM4EALDH1A1
SCHEMBL29953053 0.76 KDM4E (0.44) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL4288 0.74 ENPP2 (0.41) ALDH1A1GAAL3MBTL1TDP1
SCHEMBL29410834 0.74 ENPP2 (0.41) ALDH1A1GAAL3MBTL1TDP1
SCHEMBL187809 0.73 CA2 (0.41) P2RX7GAA
SCHEMBL1669643 0.73 HSD11B1 (0.40) P2RX7GAA

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