SCHEMBL28438648

SCHEMBL28438648

CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(N(CCc2ccccn2)Cc2cccc(CNCc3ccccn3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCR3 P51677 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL29823437 1.00 CCR1 (0.42) CCR1KCNH2KMT2AMEN1LMNA
SCHEMBL1879075 1.00 CCR1 (0.42) CCR1KCNH2KMT2AMEN1LMNA
SCHEMBL29823495 0.87 CCR3 (0.45) KMT2AMEN1ALDH1A1CCR3
SCHEMBL1870607 0.87 CCR3 (0.45) KMT2AMEN1ALDH1A1CCR3
SCHEMBL5790256 0.80 KMT2A (0.41) KMT2AMEN1LMNAALDH1A1CCR3
SCHEMBL28433679 0.78 PKM (0.45) —
SCHEMBL29823478 0.78 PKM (0.45) —
SCHEMBL29823211 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1CCR3
SCHEMBL1873995 0.76 KMT2A (0.50) KMT2AMEN1ALDH1A1CCR3
SCHEMBL1872883 0.76 MEN1 (0.41) KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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