SCHEMBL30953872

SCHEMBL30953872

O=C1CCNc2cc(C(F)(F)F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.54
PARP1 P09874 2/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
MPI P34949 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PARP11 Q9NR21 2/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL429558 1.00 PARP10 (0.54) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL1451498 0.90 PARP10 (0.48) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL12894753 0.87 PARP10 (0.58) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL2259264 0.79 KIF11 (0.54) PARP10PARP1TDP2SMN1; SMN2KIF11
SCHEMBL29783110 0.79 KIF11 (0.54) PARP10PARP1TDP2SMN1; SMN2KIF11
SCHEMBL3534887 0.78 PARP10 (0.51) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL3105252 0.77 MEN1 (0.54) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL30274589 0.77 MEN1 (0.54) PARP10PARP1MEN1KMT2AALDH1A1
SCHEMBL2632664 0.75 KIF11 (0.54) PARP10PARP1TDP2SMN1; SMN2KIF11
SCHEMBL1735429 0.75 PARP10 (0.60) PARP10PARP1PARP11TDP2SMN1; SMN2

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed