SCHEMBL29052238

SCHEMBL29052238

O=C(O)c1cc(C2CC2)nn(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.53
▸ KCNJ6 P48051 4/20 0.47
▸ KCNJ5 P48544 4/20 0.47
▸ KCNJ3 P48549 4/20 0.47
▸ RPA1 P27694 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CRACR2A Q9BSW2 4/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL19377699 0.88 KEAP1 (0.52) KCNJ6KCNJ5KCNJ3SMN1; SMN2CRACR2A
SCHEMBL21777246 0.87 KCNJ6 (0.45) PPARAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL29052610 0.85 PPARA (0.45) PPARAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL29052162 0.83 MAPT (0.41) PPARAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL29780988 0.83 MAPT (0.41) PPARAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL30253451 0.79 GRK2 (0.43) PPARASMN1; SMN2POLBKMT2AHPGD
SCHEMBL19463254 0.79 MAPT (0.45) PPARAKCNJ6KCNJ3HPGDKEAP1
SCHEMBL30672491 0.77 NPC1 (0.51) KCNJ6KCNJ5KCNJ3SMN1; SMN2CRACR2A
SCHEMBL29052524 0.76 PPARA (0.52) PPARARPA1SMN1; SMN2NOTUMMEN1
SCHEMBL19642645 0.75 SMN1; SMN2 (0.58) PPARARPA1SMN1; SMN2POLBMEN1

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-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
WO-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 — — WO disclosed
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