SCHEMBL29552807

SCHEMBL29552807

CC(C)(C)OC(=O)Cc1ccc(Nc2cc(Cl)nnc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.41
▸ CNR1 P21554 2/20 0.39
▸ PPARG P37231 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NPR3 P17342 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL28359228 0.90 SYK (0.40) SYKCNR1KMT2ALMNAMAPT
SCHEMBL29922807 0.90 SYK (0.40) SYKCNR1KMT2ALMNAMAPT
SCHEMBL29552064 0.81 MEN1 (0.41) CNR1KMT2ALMNAMAPTRIPK1
SCHEMBL29552942 0.81 TYK2 (0.41) NPR3
SCHEMBL29552492 0.80 SYK (0.46) SYKCNR1KMT2ALMNAMAPT
SCHEMBL29551926 0.77 SYK (0.40) SYKKMT2ALMNA
SCHEMBL28362796 0.76 NPC1 (0.41) SYKCNR1KMT2ALMNARIPK1
SCHEMBL29552243 0.76 ABCB1 (0.47) SYKKMT2AMAPTALDH1A1
SCHEMBL29551896 0.75 EHMT2 (0.47) SYKKMT2ALMNAMAPTALDH1A1
SCHEMBL29552431 0.73 SYK (0.48) SYKKMT2ALMNAMAPTALDH1A1

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
Send feedback