SCHEMBL30791069

SCHEMBL30791069

Nc1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.66
LDHA P00338 1/20 0.63
CYP1A1 P04798 1/20 0.61
CYP1B1 Q16678 1/20 0.61
NR4A1 P22736 1/20 0.59
NR4A2 P43354 1/20 0.59
NR4A3 Q92570 1/20 0.59
CDC25B P30305 1/20 0.52
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 2/20 0.47
NCEH1 Q6PIU2 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
G6PD P11413 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL689752 1.00 WDR5 (0.66) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL15110010 0.91 WDR5 (0.59) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL8097610 0.84 CYP1A1 (0.57) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL8781818 0.83 CYP1A1 (0.56) WDR5LDHACYP1A1CYP1B1ALDH1A1
SCHEMBL13905710 0.82 CYP1A1 (0.55) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL8681263 0.82 CYP1A1 (0.55) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL2831990 0.82 CYP1A1 (0.55) WDR5LDHACYP1A1CYP1B1NR4A1
SCHEMBL895573 0.79 WDR5 (1.00) WDR5LDHACYP1B1NR4A1NR4A2
SCHEMBL29721418 0.79 WDR5 (1.00) WDR5LDHACYP1B1NR4A1NR4A2
Phenanthrene SCHEMBL31651179 0.79 NR4A1 (0.75) WDR5LDHANR4A1NR4A2NR4A3

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
EP-4573154-A1 USE OF ADDITIVES FOR IMPROVING THE PROCESSING OF POLYETHYLENES BASF SE (DE) 2025-06-25 EP disclosed