SCHEMBL28448207

SCHEMBL28448207

Cc1onc(-c2ccccc2Cl)c1N1CCC(NCc2cccc(CNCc3ccccn3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ VCP P55072 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36

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
SCHEMBL29823338 0.73 HTT (0.51) HTTTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL1870579 0.73 HTT (0.51) HTTTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL29823485 0.69 TSHR (0.56) HTTTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL1875194 0.69 TSHR (0.56) HTTTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL30225577 0.66 KMT2A (0.68) HTTL3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL14931741 0.66 KMT2A (0.68) HTTL3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL25376426 0.65 ALDH1A1 (0.60) HTTL3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL11367933 0.64 SIGMAR1 (0.46) L3MBTL1ACHEBACE1KMT2AMEN1
SCHEMBL7016109 0.63 VCP (0.57) VCPSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL13321381 0.62 VCP (0.49) TSHRL3MBTL1VCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302287-A Methods for hematopoietic stem and progenitor cell transplantation therapy 美真达治疗公司 2021-08-24 — — CN disclosed
CN-111902411-A Compositions and methods for expanding hematopoietic stem and progenitor cells and treating inherited metabolic disorders 美真达治疗公司 2020-11-06 — — CN disclosed
CN-111712262-A Dosing regimens for mobilizing hematopoietic stem and progenitor cells 美真达治疗公司 2020-09-25 — — CN disclosed
CN-111683669-A Compositions and methods for hematopoietic stem and progenitor cell transplantation therapy 美真达治疗公司 2020-09-18 — — CN disclosed
CN-111542597-A Compositions and methods for expanding hematopoietic stem and progenitor cells 美真达治疗公司 2020-08-14 — — CN disclosed
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