SCHEMBL29120347

SCHEMBL29120347

COC(=O)c1ccc2nc(C(C)Cl)n(CC3CCO3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ HPGD P15428 6/20 0.39
▸ HSD17B10 Q99714 6/20 0.39
▸ TSHR P16473 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ GAA P10253 5/20 0.39
▸ CASP1 P29466 4/20 0.39
▸ CASP7 P55210 4/20 0.39
▸ GLA P06280 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ GLP1R P43220 6/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ BLM P54132 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ APAF1 O14727 1/20 0.35

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
SCHEMBL24485791 1.00 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL28934225 1.00 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL30149274 1.00 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL25383537 1.00 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL30149295 1.00 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL25384734 0.91 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL24485955 0.91 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL30149407 0.91 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL28934075 0.91 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRKDM4E
SCHEMBL29491605 0.88 GLP1R (0.42) ALDH1A1HPGDHSD17B10TSHRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105932-A Polymorphs of a compound a-a tromethamine salt and pharmaceutical compositions containing the polymorphs 深圳信立泰药业股份有限公司 2023-11-24 — — CN disclosed
CN-117100752-A Medical use of glucagon-like peptide-1 (GLP-1) receptor agonists 深圳信立泰药业股份有限公司 2023-11-24 — — CN disclosed
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