SCHEMBL29552243

SCHEMBL29552243

CC(C)(C)OC(=O)c1cccc(Nc2cc(Cl)nnc2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CDC25B P30305 7/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CDC25A P30304 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAP2K7 O14733 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2 P00734 4/20 0.40
▸ TMPRSS6 Q8IU80 2/20 0.40

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
SCHEMBL28362756 0.91 ABCB1 (0.45) ABCB1ABCG2SYKCDC25BRAB9A
SCHEMBL29922810 0.91 ABCB1 (0.45) ABCB1ABCG2SYKCDC25BRAB9A
SCHEMBL29551921 0.91 ABCB1 (0.45) ABCB1ABCG2SYKCDC25BRAB9A
SCHEMBL29552236 0.82 ABCB1 (0.43) ABCB1ABCG2SLC7A5CDC25BRAB9A
SCHEMBL29551926 0.79 SYK (0.40) SYKMEN1KMT2A
SCHEMBL29922602 0.78 SYK (0.43) ABCG2SYKCDC25BMAPTCDC25A
SCHEMBL28362546 0.78 SYK (0.43) ABCG2SYKCDC25BMAPTCDC25A
SCHEMBL29552807 0.76 SYK (0.41) SYKMAPTALDH1A1KMT2A
SCHEMBL28358863 0.74 ABCB1 (0.41) ABCB1ABCG2RAB9AMAPTALDH1A1
SCHEMBL5928315 0.72 ABCG2 (0.64) ABCB1ABCG2SLC7A5RAB9AMAPT

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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