SCHEMBL29801098

SCHEMBL29801098

CC(=O)N(CCC(F)(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.49
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL24975282 1.00 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL24975159 0.88 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL29801077 0.88 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL29801436 0.88 TRPV1 (0.53) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL24975115 0.88 TRPV1 (0.53) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL24975148 0.88 ALDH1A1 (0.44) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL29801199 0.88 ALDH1A1 (0.44) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL24975150 0.87 EIF4E (0.44) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL29801005 0.87 EIF4E (0.44) HPGDSLMNAALDH1A1HTTMAPT
SCHEMBL24975281 0.86 HPGDS (0.49) HPGDSLMNAALDH1A1HTTMAPT

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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