SCHEMBL29952579

SCHEMBL29952579

COc1ccc2c(C=O)c[nH]c2c1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 9/20 0.48
PIM1 P11309 7/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PIM2 Q9P1W9 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 2/20 0.44
PRKDC P78527 1/20 0.41
ERN1 O75460 4/20 0.41
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
IMPDH2 P12268 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7835597 0.83 ALDH1A1 (0.49) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29957075 0.81 ALDH1A1 (0.48) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29955011 0.81 ALDH1A1 (0.48) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29952386 0.78 PIM3 (0.51) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29957246 0.78 CYP2A6 (0.47) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL1418447 0.78 TRIM24 (0.63) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL7837750 0.77 ALDH1A1 (0.45) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29954432 0.77 ALDH1A1 (0.45) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL29954723 0.76 PIM3 (0.51) PIM3PIM1ALDH1A1KDM4EMAPT
SCHEMBL30859480 0.76 PIM3 (0.51) PIM3PIM1ALDH1A1KDM4EMAPT

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