SCHEMBL30411468

SCHEMBL30411468

COc1cccc(NC(=O)CN(C)c2nc(-c3cc(OCCOC4CCCCO4)ccn3)nc3sc(C)c(C)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ TP53 P04637 3/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 3/20 0.34

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
SCHEMBL23991294 1.00 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTNPSR1POLB
SCHEMBL23991457 0.90 LMNA (0.35) SMN1; SMN2LMNANCOA3NPC1MEN1
SCHEMBL30411728 0.90 LMNA (0.35) SMN1; SMN2LMNANCOA3NPC1MEN1
SCHEMBL23991802 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTNPSR1POLB
SCHEMBL30411399 0.86 MEN1 (0.39) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL23991795 0.86 MEN1 (0.39) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL30410698 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTNPSR1POLB
SCHEMBL23991581 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTNPSR1POLB
SCHEMBL23991323 0.85 MEN1 (0.35) POLBNPC1MEN1CYP1A2CYP2C9
SCHEMBL30411881 0.85 MEN1 (0.35) POLBNPC1MEN1CYP1A2CYP2C9

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
EP-4143197-A1 THIENO PYRIMIDINES AS FERROPORTIN INHIBITORS Global Blood Therapeutics, Inc. (US) 2023-03-08 — — EP disclosed
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