SCHEMBL28722241

SCHEMBL28722241

CC(C)OC(=O)C(NC(=O)c1cnc(-c2cccc(-c3nnc(C(=O)N[C@@H](C)C4CC4)[nH]3)c2)o1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ MME P08473 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL29452864 1.00 POLB (0.33) POLBRAB9ANPC1SMN1; SMN2SMYD3
SCHEMBL23051971 1.00 POLB (0.33) POLBRAB9ANPC1SMN1; SMN2SMYD3
SCHEMBL28722803 0.94 TACR3 (0.34) POLBRAB9ASMYD3MMEJAK2
SCHEMBL23052262 0.94 TACR3 (0.34) POLBRAB9ASMYD3MMEJAK2
SCHEMBL23052264 0.94 TACR3 (0.34) POLBRAB9ASMYD3MMEJAK2
SCHEMBL29452761 0.94 TACR3 (0.34) POLBRAB9ASMYD3MMEJAK2
SCHEMBL23052252 0.92 SLC8A1 (0.36) POLBRAB9ASMN1; SMN2SMYD3MME
SCHEMBL23052269 0.92 SLC8A1 (0.36) POLBRAB9ASMN1; SMN2SMYD3MME
SCHEMBL23052268 0.92 SLC8A1 (0.36) POLBRAB9ASMN1; SMN2SMYD3MME
SCHEMBL23052251 0.92 SLC8A1 (0.36) POLBRAB9ASMN1; SMN2SMYD3MME

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-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
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