SCHEMBL29801005

SCHEMBL29801005

CC(=O)N(CCC(F)(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.44
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ NAMPT P43490 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PSMD14 O00487 1/20 0.40
▸ STAMBP O95630 1/20 0.40

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
SCHEMBL24975150 1.00 EIF4E (0.44) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL24975148 0.91 ALDH1A1 (0.44) HTTLMNAALDH1A1MAPTHPGDS
SCHEMBL29801199 0.91 ALDH1A1 (0.44) HTTLMNAALDH1A1MAPTHPGDS
SCHEMBL29800935 0.90 NAMPT (0.51) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL24975149 0.90 NAMPT (0.51) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL24975321 0.88 NAMPT (0.49) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL29801142 0.88 NAMPT (0.49) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL24975327 0.87 EIF4E (0.45) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL29801044 0.87 EIF4E (0.45) EIF4EHTTLMNAALDH1A1MAPT
SCHEMBL24975282 0.87 HPGDS (0.49) HTTLMNAALDH1A1MAPTHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055008-A1 CANCER TREATMENTS TARGETING CANCER STEM CELLS Remedy Plan, Inc. (US) 2022-09-14 — — EP disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 — — CN disclosed
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