SCHEMBL29200533

SCHEMBL29200533

COCCCOc1cc(C(N)=O)cc(N)c1NCCCOC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.41
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
STING1 Q86WV6 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.32
BRD4 O60885 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 3/20 0.31
USP2 O75604 1/20 0.31
JAK3 P52333 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL28906815 0.87 PTGER4 (0.45) PTGER4KMT2AMEN1STING1SMN1; SMN2
SCHEMBL29200576 0.87 ALDH1A1 (0.40) PTGER4RAB9AALDH1A1KDM4ELMNA
SCHEMBL29200502 0.85 PDE4A (0.38) PTGER4
SCHEMBL29200592 0.84 EPHX2 (0.43) KMT2AMEN1STING1SMN1; SMN2NPC1
SCHEMBL29200485 0.83 IRAK4 (0.33) STING1
SCHEMBL21789934 0.79 TSHR (0.41) PTGER4KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22121045 0.77 TSHR (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL23637198 0.77 TSHR (0.40) PTGER4KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL28508495 0.76 PTGER4 (0.40) PTGER4KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL28509702 0.75 ALDH1A1 (0.43) PTGER4RAB9AALDH1A1KDM4ELMNA

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-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed