SCHEMBL29052162

SCHEMBL29052162

O=C(O)c1cc(C2CC2)nn(-c2ccc(Cl)cn2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ CRACR2A Q9BSW2 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ KCNJ6 P48051 3/20 0.38
▸ KCNJ5 P48544 3/20 0.38
▸ KCNJ3 P48549 3/20 0.38
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CNR1 P21554 2/20 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
SCHEMBL29780988 1.00 MAPT (0.41) MAPTPPARACRACR2APOLBKCNJ6
SCHEMBL29052152 0.86 NPSR1 (0.40) MAPTCRACR2AKCNJ6KCNJ5KCNJ3
SCHEMBL29780914 0.86 NPSR1 (0.40) MAPTCRACR2AKCNJ6KCNJ5KCNJ3
SCHEMBL29052238 0.83 PPARA (0.53) PPARACRACR2APOLBKCNJ6KCNJ5
SCHEMBL29052540 0.78 MAPT (0.43) MAPTPPARACCNA2CDK2CDK5
SCHEMBL29781023 0.78 MAPT (0.43) MAPTPPARACCNA2CDK2CDK5
SCHEMBL19377699 0.76 KEAP1 (0.52) CRACR2APOLBKCNJ6KCNJ5KCNJ3
SCHEMBL21777246 0.73 KCNJ6 (0.45) PPARACRACR2APOLBKCNJ6KCNJ5
SCHEMBL1671377 0.70 CRACR2A (0.55) CRACR2ALMNA
SCHEMBL29052610 0.69 PPARA (0.45) PPARACRACR2AKCNJ6KCNJ5KCNJ3

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-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
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