SCHEMBL29801199

SCHEMBL29801199

CC(=O)N(CCC(F)(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL24975148 1.00 ALDH1A1 (0.44) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL24975150 0.91 EIF4E (0.44) ALDH1A1LMNAHTTMAPTHPGDS
SCHEMBL29801005 0.91 EIF4E (0.44) ALDH1A1LMNAHTTMAPTHPGDS
SCHEMBL29801056 0.89 LMNA (0.43) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL24975329 0.89 LMNA (0.43) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL24975356 0.88 LMNA (0.48) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL29801250 0.88 LMNA (0.48) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL24975282 0.88 HPGDS (0.49) ALDH1A1LMNAHTTMAPTHPGDS
SCHEMBL29801098 0.88 HPGDS (0.49) ALDH1A1LMNAHTTMAPTHPGDS
SCHEMBL24975468 0.87 LMNA (0.43) ALDH1A1LMNAHTTMAPTRECQL

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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