SCHEMBL29956475

SCHEMBL29956475

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 10/20 0.55
PIM1 P11309 8/20 0.55
PIM2 Q9P1W9 2/20 0.51
CYP2A6 P11509 3/20 0.47
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
IMPDH2 P12268 1/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
GPR17 Q13304 1/20 0.35

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
SCHEMBL2539628 0.82 TRIM24 (0.50) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29951142 0.82 TRIM24 (0.50) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29953642 0.79 PIM3 (0.51) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29951655 0.79 TRIM24 (0.47) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29953035 0.79 PIM3 (0.55) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29957633 0.79 TRIM24 (0.47) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL2534041 0.79 TRIM24 (0.47) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL14519078 0.79 PIM3 (0.65) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29955011 0.76 ALDH1A1 (0.48) PIM3PIM1PIM2CYP2A6TRIM24
SCHEMBL29952386 0.76 PIM3 (0.51) 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