SCHEMBL31199169

SCHEMBL31199169

Cc1nnc(-c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CA2 P00918 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL30943672 0.88 KDM4E (0.37) RAB9AKMT2AMEN1HDAC4HDAC6
SCHEMBL25964997 0.84 RARB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31083780 0.84 RARB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL21896456 0.84 RARB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL17721291 0.84 RARB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL16974355 0.83 TP53 (0.40) SMN1; SMN2KMT2AALDH1A1
SCHEMBL25913003 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HDAC3HDAC1NPC1RAB9A
SCHEMBL18384364 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HDAC3HDAC1NPC1RAB9A
SCHEMBL25913000 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HDAC3HDAC1NPC1RAB9A
SCHEMBL30326680 0.80 TP53 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233966-A2 MODULATING STROMAL AND IMMUNE CELLS IN ATRIAL DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2024-11-14 — — WO disclosed
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