SCHEMBL25151125

SCHEMBL25151125

O=c1[nH]cnc2cc(B(O)O)cc(F)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.51
PDPK1 O15530 4/20 0.38
IP6K1 Q92551 2/20 0.37
IP6K3 Q96PC2 1/20 0.35
CA12 O43570 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.34
AKT1 P31749 1/20 0.34
FLT3 P36888 1/20 0.34
PIM3 Q86V86 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
SCHEMBL3176187 0.78 PARP1 (0.59) PARP1PDPK1IP6K1IP6K3CA12
SCHEMBL29717535 0.78 PARP1 (0.59) PARP1PDPK1IP6K1IP6K3CA12
SCHEMBL29171979 0.77 MAPT (0.36) PARP1
SCHEMBL30013911 0.76 PARP1 (0.56) PARP1PDPK1IP6K1IP6K3CA12
SCHEMBL18954101 0.76 PARP1 (0.56) PARP1PDPK1IP6K1IP6K3CA12
SCHEMBL2798284 0.72 PARP1 (0.51) PARP1PDPK1IP6K1SMN1; SMN2ALDH1A1
SCHEMBL30988805 0.72 PARP1 (0.51) PARP1PDPK1IP6K1SMN1; SMN2ALDH1A1
SCHEMBL27159699 0.71 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8210731 0.71 PARP1 (0.58) PARP1PDPK1IP6K1CA12ALOX15
SCHEMBL27160201 0.70 ENPP2 (0.41) PARP1CHEK1

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-2023064880-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. (US) 2023-04-20 WO disclosed