SCHEMBL29801317

SCHEMBL29801317

CC(C)CNc1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HPGDS O60760 2/20 0.57
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL24976313 1.00 HTT (0.58) HTTLMNANPSR1HPGDSPOLB
SCHEMBL29801068 0.86 HPGDS (0.55) HTTLMNANPSR1HPGDSPOLB
SCHEMBL24976416 0.86 HPGDS (0.55) HTTLMNANPSR1HPGDSPOLB
SCHEMBL24976417 0.86 HPGDS (0.55) HTTLMNANPSR1HPGDSPOLB
SCHEMBL24975354 0.85 HTT (0.77) HTTLMNANPSR1HPGDSALDH1A1
SCHEMBL29801153 0.84 HTT (0.61) HTTLMNANPSR1HPGDSPOLB
SCHEMBL24975342 0.84 HTT (0.61) HTTLMNANPSR1HPGDSPOLB
SCHEMBL24975558 0.83 KMT2A (0.66) HTTLMNAHPGDSHPGDALDH1A1
SCHEMBL24975530 0.83 HPGDS (0.64) HTTLMNAHPGDSALDH1A1MAPT
SCHEMBL29801122 0.83 KMT2A (0.66) HTTLMNAHPGDSHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930509-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-05-06 — — CN disclosed
CN-114929672-B Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-01-21 — — CN disclosed
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
Send feedback