SCHEMBL29954723

SCHEMBL29954723

O=Cc1c[nH]c2c(Br)c(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 9/20 0.51
PIM1 P11309 7/20 0.51
PIM2 Q9P1W9 2/20 0.48
CYP2A6 P11509 3/20 0.47
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ERN1 O75460 2/20 0.42
IMPDH2 P12268 1/20 0.41
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29953035 0.83 PIM3 (0.55) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29952798 0.79 PIM3 (0.50) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL30859480 0.79 PIM3 (0.51) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29953642 0.79 PIM3 (0.51) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29957633 0.79 TRIM24 (0.47) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL14519078 0.79 PIM3 (0.65) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29955386 0.77 TRIM24 (0.66) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL7836451 0.76 CA1 (0.50) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29952579 0.76 PIM3 (0.48) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29955189 0.74 PIM3 (0.50) PIM3PIM1PIM2CYP2A6TRIM24

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