SCHEMBL29601724

SCHEMBL29601724

COc1ccc(C(=O)NCC(=O)O)nc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.59
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P4HTM Q9NXG6 1/20 0.47
RAB9A P51151 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12924130 1.00 EGLN1 (0.59) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL12923841 0.88 KDM4E (0.53) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL12924825 0.87 HPGDS (0.56) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL12925136 0.84 HPGDS (0.53) ALDH1A1HPGDCYP1A2POLBCYP3A4
SCHEMBL12896108 0.84 EGLN1 (0.57) EGLN1HPGDPOLBATMRAB9A
SCHEMBL12923703 0.83 PDE10A (0.53) ALDH1A1HPGDCYP1A2POLBCYP3A4
SCHEMBL29601352 0.83 SMN1; SMN2 (0.57) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL31086435 0.83 MAPT (0.53) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL27039815 0.83 SMN1; SMN2 (0.57) EGLN1ALDH1A1HPGDCYP1A2POLB
SCHEMBL25362883 0.82 EGLN1 (0.62) EGLN1KDM4C

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
WO-2024206939-A2 SARS-COV-2 ENTRY INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-03 WO disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed