SCHEMBL29951284

SCHEMBL29951284

COc1cc(Br)cc2c(C=O)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.51
PIM3 Q86V86 6/20 0.46
PIM1 P11309 4/20 0.46
PRKDC P78527 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.44
CYP2A6 P11509 2/20 0.44
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PIM2 Q9P1W9 1/20 0.36
IMPDH2 P12268 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL3210719 0.83 ALDH1A1 (0.56) ERN1PIM3PIM1PRKDCALDH1A1
SCHEMBL29954105 0.81 ALDH1A1 (0.44) ERN1PIM3PIM1PRKDCALDH1A1
SCHEMBL29957614 0.81 ERN1 (0.51) ERN1PIM3PIM1PRKDCALDH1A1
SCHEMBL674053 0.79 TRIM24 (0.56) ERN1PIM3PIM1ALDH1A1KDM4E
SCHEMBL18426484 0.78 PIM3 (0.51) ERN1PIM3PIM1ALDH1A1KDM4E
SCHEMBL29955189 0.77 PIM3 (0.50) ERN1PIM3PIM1ALDH1A1KDM4E
SCHEMBL29954576 0.76 ALDH1A1 (0.56) ERN1PIM3PIM1PRKDCALDH1A1
SCHEMBL29953212 0.76 PIM3 (0.49) ERN1PIM3PIM1ALDH1A1KDM4E
SCHEMBL1612856 0.75 ERN1 (0.51) ERN1PIM3PIM1PRKDCALDH1A1
SCHEMBL29952579 0.75 PIM3 (0.48) ERN1PIM3PIM1PRKDCALDH1A1

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