SCHEMBL25681114

SCHEMBL25681114

C[C@H](NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ TPSAB1 Q15661 3/20 0.37
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PLG P00747 3/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KLK1 P06870 2/20 0.34
▸ KLK6 Q92876 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL22147094 0.91 KMT2A (0.41) KMT2APTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL20198075 0.88 SMN1; SMN2 (0.39) KMT2APTGS1PTGS2TPSAB1HPGD
SCHEMBL22100721 0.87 KMT2A (0.40) KMT2APTGS1PTGS2TPSAB1HPGD
SCHEMBL25681106 0.83 SIRT2 (0.37) KMT2APTGS1PTGS2ALDH1A1KDM4E
SCHEMBL21185388 0.83 KMT2A (0.39) KMT2AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL23867925 0.82 FOLH1 (0.37) KMT2APTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL17823174 0.82 PTGS1 (0.40) KMT2APTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL17823173 0.82 PTGS1 (0.40) KMT2APTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL23933301 0.81 KMT2A (0.40) KMT2APTGS1PTGS2HPGDSMN1; SMN2
SCHEMBL23933300 0.81 KMT2A (0.40) KMT2APTGS1PTGS2HPGDSMN1; SMN2

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
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
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