SCHEMBL29957517

SCHEMBL29957517

OB(O)c1cccc2c(C(F)(F)F)cccc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.38
KIF11 P52732 1/20 0.38
PARP1 P09874 1/20 0.38
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NOTUM Q6P988 1/20 0.35
NCF1 P14598 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL29953428 0.88 MAPT (0.37) KIF11MGLLKDM4ESMN1; SMN2HSD17B10
SCHEMBL27241189 0.82 CA2 (0.46) KIF11KDM4EMEN1KMT2AALDH1A1
SCHEMBL29595177 0.80 MAPT (0.44) MAPT
SCHEMBL2399704 0.80 MAPT (0.44) MAPT
SCHEMBL29410834 0.79 ENPP2 (0.41) MGLLMEN1KMT2AALDH1A1LMNA
SCHEMBL4288 0.79 ENPP2 (0.41) MGLLMEN1KMT2AALDH1A1LMNA
SCHEMBL187809 0.78 CA2 (0.41) MGLLNOTUMLMNAP2RX7
SCHEMBL31156210 0.78 TAS2R14 (0.41) MGLLNOTUMALDH1A1P2RX7
SCHEMBL1669643 0.78 HSD11B1 (0.40) MGLLMEN1KMT2ANOTUMLMNA
SCHEMBL29525986 0.78 MGLL (0.38) MGLLNOTUMP2RX7

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