SCHEMBL30600508

SCHEMBL30600508

COc1ccccc1C(=O)n1nc(N)c2ccc(C3CCC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ F2 P00734 5/20 0.46
▸ MAPT P10636 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ F12 P00748 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MGAM O43451 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ SI P14410 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
SCHEMBL26675308 1.00 ALOX15 (0.47) ALOX15HSD17B10F2MAPTHTT
SCHEMBL26675432 0.96 ALOX15 (0.48) ALOX15HSD17B10F2MAPTHTT
Trifluoroacetic Acid SCHEMBL26675303 0.89 ALOX15 (0.45) ALOX15HSD17B10F2MAPTHTT
SCHEMBL26834621 0.86 ALOX15 (0.49) ALOX15HSD17B10F2MAPTHTT
SCHEMBL29767945 0.86 ALOX15 (0.49) ALOX15HSD17B10F2MAPTHTT
SCHEMBL30600511 0.86 ENPP3 (0.41) MAPTHTTSMN1; SMN2TP53PKM
SCHEMBL26675349 0.86 ENPP3 (0.41) MAPTHTTSMN1; SMN2TP53PKM
SCHEMBL29767952 0.86 ALOX15 (0.47) ALOX15HSD17B10F2MAPTHTT
SCHEMBL26675344 0.86 ALOX15 (0.47) ALOX15HSD17B10F2MAPTHTT
SCHEMBL26834610 0.86 ALOX15 (0.47) ALOX15HSD17B10F2MAPTHTT

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-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN claimed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN disclosed
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