SCHEMBL24096891

SCHEMBL24096891

CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(-c3cccc(NC4CCC4)c3)c(C(F)(F)F)n3ccnc23)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.45
▸ HDAC4 P56524 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ PIM1 P11309 2/20 0.41
▸ PIM2 Q9P1W9 2/20 0.41
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PHGDH O43175 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL24096869 0.82 HDAC4 (0.46) USP30HDAC4HDAC6TRPV1PIM1
SCHEMBL24096892 0.82 HDAC4 (0.46) USP30HDAC4HDAC6TRPV1PIM1
SCHEMBL24096725 0.80 CDK2 (0.47) USP30HDAC4HDAC6PIM1PIM2
SCHEMBL17927228 0.74 KMT2A (0.59) USP30HDAC4HDAC6TRPV1PHGDH
SCHEMBL30028550 0.74 KMT2A (0.59) USP30HDAC4HDAC6TRPV1PHGDH
SCHEMBL24781306 0.74 KMT2A (0.59) USP30HDAC4HDAC6TRPV1PHGDH
SCHEMBL1467081 0.74 USP30 (0.53) USP30HDAC4HDAC6PIM1PIM2
SCHEMBL24096795 0.73 USP30 (0.42) USP30HDAC4HDAC6TRPV1PIM1
SCHEMBL24096835 0.72 JAK3 (0.41) USP30HDAC4HDAC6TRPV1PIM1
SCHEMBL24096838 0.72 JAK3 (0.41) USP30HDAC4HDAC6TRPV1PIM1

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-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 — — WO disclosed
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