SCHEMBL22688077

SCHEMBL22688077

CC(C)/C=N/NC(=O)COCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL23585052 0.81 THRB (0.54) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL21466271 0.74 THRB (0.68) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL18704269 0.72 THRB (0.66) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL14938490 0.71
SCHEMBL14938491 0.71
SCHEMBL11978610 0.70 LMNA (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9973625 0.69 THRB (0.61) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL9973626 0.68 THRB (0.59) THRBMAPTALDH1A1MEN1KMT2A
SCHEMBL9572437 0.68 TSHR (0.41) THRBALDH1A1TSHRPTGS1
SCHEMBL12194917 0.67 CYP2D6 (0.50) MAPTALDH1A1KMT2AKDM4EPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842459-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF ImmunoGen, Inc. (US) 2021-06-30 EP disclosed
EP-3313884-B9 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN INC (US) 2021-05-19 EP disclosed
EP-3313884-B1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN INC (US) 2020-11-18 EP disclosed