SCHEMBL23052244

SCHEMBL23052244

CC(NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)NCC4CC4)o3)c2)nn1CC(O)C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ RORC P51449 4/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ MME P08473 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL23041475 0.94 HTT (0.36) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041473 0.94 HTT (0.36) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041555 0.91 MME (0.35) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL29452454 0.91 MME (0.35) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041557 0.91 MME (0.35) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041944 0.90 MME (0.36) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL29452277 0.90 MME (0.36) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041943 0.90 MME (0.36) USP30HTTRAB9AKMT2AKCNK3
SCHEMBL23041644 0.87 POLB (0.35) HTTRAB9AKMT2AKCNK3MME
SCHEMBL23041643 0.87 POLB (0.35) HTTRAB9AKMT2AKCNK3MME

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-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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