SCHEMBL30686444

SCHEMBL30686444

CCn1nccc1Cn1cnc2ccc(C(=O)OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.48
▸ ABL1 P00519 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ FGFR1 P11362 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ACSS2 Q9NR19 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 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
SCHEMBL30686464 0.88 HCAR3 (0.44) BRD4FGFR1ACSS2MEN1KMT2A
SCHEMBL31202855 0.84 BRD4 (0.46) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL30233047 0.84 BRD4 (0.48) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL17263019 0.82 KDM4E (0.51) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL29559350 0.81 BRD4 (0.47) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL30680676 0.78 BRD4 (0.50) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL17807884 0.77 BRD4 (0.59) BRD4FGFR1SMN1; SMN2CNR1ALDH1A1
SCHEMBL30202437 0.77 BRD4 (0.59) BRD4FGFR1SMN1; SMN2CNR1ALDH1A1
SCHEMBL30233119 0.77 BRD4 (0.49) BRD4KDM4EMAPTPOLBFGFR1
SCHEMBL31202804 0.77 BRD4 (0.49) BRD4KDM4EMAPTPOLBFGFR1

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-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 — — CN disclosed
Send feedback