SCHEMBL29801068

SCHEMBL29801068

O=C(NCc1cccnc1)c1ccc(-c2ccc(NCCC(F)F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.55
▸ HTT P42858 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NAMPT P43490 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ STAMBP O95630 1/20 0.46

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
SCHEMBL24976416 1.00 HPGDS (0.55) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL24976417 1.00 HPGDS (0.55) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL29801317 0.86 HTT (0.58) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL24976313 0.86 HTT (0.58) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL24975354 0.82 HTT (0.77) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL29801077 0.82 HPGDS (0.49) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL24975159 0.82 HPGDS (0.49) HPGDSHTTLMNAALDH1A1NPSR1
SCHEMBL24975530 0.81 HPGDS (0.64) HPGDSHTTLMNAALDH1A1KMT2A
SCHEMBL24975558 0.81 KMT2A (0.66) HPGDSHTTLMNAALDH1A1MEN1
SCHEMBL29801099 0.81 HPGDS (0.64) HPGDSHTTLMNAALDH1A1KMT2A

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
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