SCHEMBL29922810

SCHEMBL29922810

COC(=O)c1nnc(Cl)cc1Nc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SYK P43405 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CDC25B P30305 4/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 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 1.00 ABCB1 (0.45) ABCB1ABCG2AKR1C4AKR1C3AKR1C2
SCHEMBL29551921 1.00 ABCB1 (0.45) ABCB1ABCG2AKR1C4AKR1C3AKR1C2
SCHEMBL29552243 0.91 ABCB1 (0.47) ABCB1ABCG2AKR1C3AKR1C2MAPT
SCHEMBL28362546 0.87 SYK (0.43) ABCG2LMNAMAPTSYKTP53
SCHEMBL29922602 0.87 SYK (0.43) ABCG2LMNAMAPTSYKTP53
SCHEMBL29922466 0.82 ABCB1 (0.41) ABCB1ABCG2AKR1C4AKR1C3AKR1C2
SCHEMBL28358863 0.82 ABCB1 (0.41) ABCB1ABCG2AKR1C4AKR1C3AKR1C2
SCHEMBL29552248 0.82 ABCB1 (0.41) ABCB1ABCG2AKR1C4AKR1C3AKR1C2
SCHEMBL28359212 0.79 SYK (0.40) LMNAMAPTSYKMAPK1KMT2A
SCHEMBL29922815 0.79 SYK (0.40) LMNAMAPTSYKMAPK1KMT2A

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
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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