SCHEMBL29956575

SCHEMBL29956575

O=Cc1c[nH]c2c(Cl)cc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PIM3 Q86V86 9/20 0.38
PIM1 P11309 7/20 0.38
CYP2A6 P11509 2/20 0.37
IMPDH2 P12268 1/20 0.37
PIM2 Q9P1W9 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL671157 0.82 ERN1 (0.44) ARTRIM24TRIM33PIM3PIM1
SCHEMBL2534005 0.82 GPR84 (0.53) ARTRIM24TRIM33PIM3PIM1
SCHEMBL29952475 0.81 ERN1 (0.43) TRIM24TRIM33PIM3PIM1CYP2A6
SCHEMBL21624143 0.79 PIM3 (0.44) TRIM24TRIM33PIM3PIM1CYP2A6
SCHEMBL29956008 0.79 TRIM24 (0.40) TRIM24TRIM33PIM3PIM1CYP2A6
SCHEMBL671315 0.79 TRIM24 (0.56) ARTRIM24TRIM33PIM3PIM1
SCHEMBL29953877 0.76 AR (0.43) ARTRIM24TRIM33PIM3PIM1
SCHEMBL25350152 0.76 TRIM24 (0.37) TRIM24TRIM33PIM3PIM1CYP2A6
SCHEMBL1420304 0.76 TRIM24 (0.37) TRIM24TRIM33PIM3PIM1CYP2A6
SCHEMBL29954105 0.76 ALDH1A1 (0.44) TRIM24TRIM33PIM3PIM1CYP2A6

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