SCHEMBL30427520

SCHEMBL30427520

CCCCOC(=O)/N=c1/n(C)ccn1Cc1cc(Br)c2c(c1)C(=O)CCO2

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
HTR1A P08908 3/20 0.30
SLC6A4 P31645 3/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL30427340 0.86 WDR5 (0.35) LTB4RLTB4R2
SCHEMBL30427510 0.85 GPR119 (0.32) HTR1ASLC6A4CYP2D6
SCHEMBL25201351 0.85 HTR1A (0.30) HTR1ASLC6A4CYP2D6
SCHEMBL25201348 0.85 HTR1A (0.30) HTR1ASLC6A4CYP2D6
SCHEMBL30427932 0.75 WDR5 (0.43) KMT2A
SCHEMBL25195647 0.75 WDR5 (0.43) KMT2A
SCHEMBL29767153 0.73 ACLY (0.31)
SCHEMBL30427822 0.72 WDR5 (0.36) KMT2A
SCHEMBL22750301 0.71 ACLY (0.33)
SCHEMBL22750300 0.71 ACLY (0.33)

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
WO-2023090829-A1 LOW-MOLECULAR-WEIGHT COMPOUND FOR REGULATING MLL1-WDR5 INTERACTION AND USE THEREOF 엘젠테라퓨틱스 주식회사 2023-05-25 WO disclosed