SCHEMBL29552239

SCHEMBL29552239

CN1CCN(c2ccc(Nc3ccnnc3C(=O)O)cc2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE7A Q13946 1/20 0.37
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ EGFR P00533 3/20 0.34
▸ SYK P43405 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPKAPK2 P49137 2/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ CCNT1 O60563 1/20 0.32

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
SCHEMBL29552235 0.84 TACR1 (0.36) L3MBTL1PDE7ASYKPTGS2PIK3CA
SCHEMBL29552160 0.83 L3MBTL1 (0.46) L3MBTL1PDE7AEGFRSYKSLC6A2
SCHEMBL29551761 0.74 TYK2 (0.57) L3MBTL1SLC6A2SLC6A4
SCHEMBL29922678 0.73 L3MBTL1 (0.42) L3MBTL1PDE7AEGFRSYKSLC6A2
SCHEMBL28362527 0.73 L3MBTL1 (0.42) L3MBTL1PDE7AEGFRSYKSLC6A2
SCHEMBL29552554 0.72 HTR2C (0.40) ADRA2AADRA2BADRA2CALDH1A1CDK4
SCHEMBL23486417 0.71 FABP4 (0.46) PTGS2GFERHPGDALDH1A1
SCHEMBL22609254 0.70 DHODH (0.46) EGFRPTGS2ALDH1A1CDK9
SCHEMBL29552335 0.68 PTGS2 (0.37) PDE7ASYKPTGS2
SCHEMBL3557930 0.67 SLC6A2 (0.45) L3MBTL1SLC6A2SLC6A4ACVR1HPGD

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-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO disclosed
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