SCHEMBL28615567

SCHEMBL28615567

O=c1cc(-c2ccc(OC(F)F)nn2)cnn1Cc1nnc(-c2ccccc2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ IL4I1 Q96RQ9 3/20 0.34
▸ HSD17B13 Q7Z5P4 1/20 0.33
▸ WNT3A P56704 4/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL23528801 0.84 MEN1 (0.40) IL4I1HSD17B13
SCHEMBL23528627 0.79 MEN1 (0.41) GRIN2BGRIN1
SCHEMBL29569822 0.79 MEN1 (0.41) GRIN2BGRIN1
SCHEMBL25438256 0.76 MEN1 (0.35) GRIN2BGRIN1
SCHEMBL23528573 0.73 MEN1 (0.46) —
SCHEMBL29570039 0.71 MET (0.40) GRIN2BGRIN1
SCHEMBL23528516 0.71 MET (0.40) GRIN2BGRIN1
SCHEMBL29569687 0.69 IL4I1 (0.43) IL4I1HSD17B13ACHEBRD4HDAC6
SCHEMBL26531101 0.68 MEN1 (0.44) —
SCHEMBL27068759 0.65 MEN1 (0.42) HSD17B13

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-113272291-A Pyridazinone compound and use thereof 艾知怀斯治疗学公司 2021-08-17 — — CN disclosed
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