SCHEMBL29952386

SCHEMBL29952386

COc1c(Br)ccc2c(C=O)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 9/20 0.51
PIM1 P11309 7/20 0.51
PIM2 Q9P1W9 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 3/20 0.44
PRKDC P78527 1/20 0.38
IMPDH2 P12268 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL7835597 0.83 ALDH1A1 (0.49) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29958402 0.81 ALDH1A1 (0.48) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29955110 0.81 ALDH1A1 (0.48) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL7836451 0.81 CA1 (0.50) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29952579 0.78 PIM3 (0.48) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29956475 0.76 PIM3 (0.55) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29953035 0.76 PIM3 (0.55) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL14519078 0.75 PIM3 (0.65) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29957435 0.75 CYP2A6 (0.55) PIM3PIM1PIM2ALDH1A1KDM4E
SCHEMBL29957246 0.75 CYP2A6 (0.47) PIM3PIM1PIM2ALDH1A1KDM4E

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