SCHEMBL28876550

SCHEMBL28876550

O=C(Oc1ccc(Cl)nc1)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CHRNA3 P32297 5/20 0.40
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB3 Q05901 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
SCHEMBL28763237 0.90 KMT2A (0.53) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL31396644 0.90 KMT2A (0.53) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL28589485 0.87 KMT2A (0.59) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL28422495 0.87 KMT2A (0.64) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL28417308 0.85 CYP11B1 (0.41) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL28964033 0.81 KMT2A (0.49) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL28944840 0.78 KMT2A (0.58) KMT2ASMN1; SMN2HTTTDP1CHRNA3
SCHEMBL9153828 0.77 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1CYP11B1
SCHEMBL9153824 0.77 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1CYP11B1
Hydrochloric Acid SCHEMBL28944862 0.77 KMT2A (0.57) KMT2ASMN1; SMN2HTTTDP1CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 — — CN disclosed
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