SCHEMBL29138499

SCHEMBL29138499

CCC(=O)NC(Cc1c(C(=O)c2ccc(OC)cc2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
CYP2C9 P11712 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2C19 P33261 1/20 0.48
PIN1 Q13526 1/20 0.47
ALB P02768 1/20 0.46
IL2 P60568 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
CAPN1 P07384 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FPR1 P21462 1/20 0.42

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
SCHEMBL29138496 1.00 KMT2A (0.48) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL30669506 0.92 KMT2A (0.48) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138494 0.90 KMT2A (0.50) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138498 0.90 KMT2A (0.50) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138480 0.82 ALB (0.51) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138474 0.82 ALB (0.51) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138497 0.81 LMNA (0.51) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL30669507 0.74 KDM4E (0.48) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL29138511 0.72 MTNR1A (0.52) KMT2AMEN1CYP2C9KDM4ECYP2C19
SCHEMBL8174274 0.71 KDM4E (0.51) KMT2AMEN1CYP2C9KDM4ECYP2C19

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
CN-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN disclosed