SCHEMBL26344040

SCHEMBL26344040

CC(C)n1c(=O)nc(N[C@@H](C)c2cc(O[C@@H]3CCOC3)ccc2F)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.41
▸ SOS1 Q07889 6/20 0.41
▸ IDH1 O75874 2/20 0.41
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ PDE9A O76083 4/20 0.38
▸ DUT P33316 1/20 0.38
▸ S1PR3 Q99500 2/20 0.37
▸ KRAS P01116 1/20 0.35

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
SCHEMBL29589354 1.00 ACACB (0.41) ACACBSOS1IDH1SCN1ASCN5A
SCHEMBL29589397 1.00 ACACB (0.41) ACACBSOS1IDH1SCN1ASCN5A
SCHEMBL26344032 1.00 ACACB (0.41) ACACBSOS1IDH1SCN1ASCN5A
SCHEMBL26344024 1.00 ACACB (0.41) ACACBSOS1IDH1SCN1ASCN5A
SCHEMBL26344050 0.84 IDH1 (0.52) ACACBSOS1IDH1DUT
SCHEMBL26344029 0.84 ACACB (0.39) ACACBSOS1IDH1PDE9ADUT
SCHEMBL26344101 0.78 SCN1A (0.39) SOS1IDH1SCN1ASCN5ASCN8A
SCHEMBL26344046 0.77 DUT (0.43) ACACBIDH1PDE9ADUTS1PR3
SCHEMBL30459378 0.76 PGR (0.37) IDH1PDE9A
SCHEMBL26344167 0.76 PGR (0.37) IDH1PDE9A

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
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 — — EP disclosed
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