SCHEMBL29574248

SCHEMBL29574248

COC(=O)c1ccc2nc3n(c2c1)CCC3Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 8/20 0.42
PABPC1 P11940 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
RPS6KB1 P23443 1/20 0.39
FGFR1 P11362 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL24265358 1.00 NPC1 (0.42) NPC1RAB9AHSP90AA1KDM4EPABPC1
SCHEMBL26482558 0.86 FGFR1 (0.36) NPC1RAB9AACSS2FGFR1SMN1; SMN2
SCHEMBL29574433 0.85 ALDH1A1 (0.43) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL26494819 0.85 ALDH1A1 (0.43) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL29040744 0.85 HCAR3 (0.40) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL24265947 0.74 IDH1 (0.40) NPC1RAB9AHSP90AA1KDM4EHSD17B10
SCHEMBL29573838 0.74 IDH1 (0.40) NPC1RAB9AHSP90AA1KDM4EHSD17B10
SCHEMBL24265362 0.73 TP53 (0.54) KDM4EMAPTLMNA
SCHEMBL30548145 0.73 TP53 (0.54) KDM4EMAPTLMNA
SCHEMBL25434066 0.72 ACSS2 (0.43) NPC1RAB9AHSP90AA1KDM4EPABPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507326-A Compounds as GLP-1R agonists 拓臻制药公司 2023-07-28 CN disclosed
EP-4199919-A1 COMPOUNDS AS GLP-1R AGONISTS Terns Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed