SCHEMBL29047601

SCHEMBL29047601

N#CCC(=O)Nc1nnc(-c2cc3ccccc3[nH]2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP30 Q70CQ3 3/20 0.40
AGPAT2 O15120 1/20 0.40
GLS O94925 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
ABL1 P00519 3/20 0.39
MET P08581 1/20 0.38
KDR P35968 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL1279155 0.76 USP30 (0.61) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL29047628 0.72 HDAC1 (0.63) KDM4EALDH1A1KMT2AMEN1AGPAT2
SCHEMBL29047581 0.71 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL29047560 0.70 KDM4E (0.67) KDM4EALDH1A1KMT2AMEN1GLS
SCHEMBL29047532 0.69 KMT2A (0.70) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL29047619 0.68 SIRT2 (0.61) KDM4EALDH1A1KMT2AMEN1GLS
SCHEMBL29047642 0.68 MGAM (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL5160064 0.68 IDO1 (0.60) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL29500525 0.68 IDO1 (0.60) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL6372619 0.67 DDX3X (0.56) TDP1KDM4EALDH1A1USP30GLS

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-108947931-B Thiazole amide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海有机化学研究所 2023-07-07 CN disclosed