SCHEMBL29957075

SCHEMBL29957075

COc1ccc2c(C=O)c[nH]c2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 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
PIM3 Q86V86 9/20 0.47
PIM1 P11309 7/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
PIM2 Q9P1W9 2/20 0.43
KMT2A Q03164 1/20 0.39
CYP2A6 P11509 2/20 0.38
IMPDH2 P12268 1/20 0.38
ERN1 O75460 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.36
HPGD P15428 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) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL29955011 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL29952579 0.81 PIM3 (0.48) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL17829692 0.78 CSNK2A2 (0.50) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL29955110 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL29951137 0.78 KMT2A (0.42) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL1418447 0.78 TRIM24 (0.63) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL7837750 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL29954432 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTTRIM24TRIM33
SCHEMBL17828249 0.76 TRIM24 (0.47) TRIM24TRIM33PIM3PIM1PIM2

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