SCHEMBL29047628

SCHEMBL29047628

N#CCC(=O)Nc1nnc(-c2ccccc2Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.63
HDAC2 Q92769 3/20 0.63
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 3/20 0.61
NPC1 O15118 2/20 0.61
HSD17B10 Q99714 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
PKM P14618 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL29047560 0.81 KDM4E (0.67) ALDH1A1KDM4EHPGDNPC1HSD17B10
SCHEMBL1279155 0.81 USP30 (0.61) ALDH1A1KDM4EHPGDNPC1HSD17B10
SCHEMBL29047581 0.75 KDM4E (0.70) HDAC1HDAC2ALDH1A1KDM4EHPGD
SCHEMBL29047532 0.73 KMT2A (0.70) ALDH1A1KDM4EHPGDNPC1HSD17B10
SCHEMBL29047601 0.72 TDP1 (0.41) HDAC1HDAC2ALDH1A1KDM4EHSD17B10
SCHEMBL28654140 0.72 ALDH1A1 (0.61) HDAC1HDAC2ALDH1A1KDM4EHPGD
SCHEMBL4089368 0.71 KMT2A (0.62) ALDH1A1KDM4EHPGDNPC1HSD17B10
SCHEMBL29047597 0.71 SMN1; SMN2 (0.67) HDAC1HDAC2ALDH1A1KDM4EHPGD
SCHEMBL6372619 0.71 DDX3X (0.56) HDAC1HDAC2ALDH1A1KDM4EHPGD
SCHEMBL29047587 0.71 L3MBTL1 (0.60) ALDH1A1KDM4ESMN1; SMN2TP53KMT2A

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