SCHEMBL28232648

SCHEMBL28232648

O=C(Nc1ncco1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ROCK2 O75116 1/20 0.56
▸ ROCK1 Q13464 1/20 0.56
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ PSMD14 O00487 1/20 0.52
▸ STAMBP O95630 1/20 0.52
▸ COPS5 Q92905 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KCNK3 O14649 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8124745 0.84 NAMPT (0.60) RAB9ANPC1PSMD14STAMBPCOPS5
SCHEMBL2712690 0.81 GAA (0.55) LMNASMN1; SMN2RAB9APSMD14STAMBP
SCHEMBL22983004 0.78 RAB9A (0.61) LMNAHIF1AROCK2ROCK1SMN1; SMN2
SCHEMBL12614021 0.78 LMNA (0.56) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL3647333 0.77 PSMD14 (0.53) LMNAROCK1SMN1; SMN2RAB9ANPC1
SCHEMBL6643666 0.76 LMNA (0.67) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL31678616 0.75 THRB (0.57) ROCK2HDAC1HDAC6SMN1; SMN2RAB9A
SCHEMBL11591966 0.74 LMNA (0.69) LMNAHIF1AROCK2ROCK1HDAC1
SCHEMBL1571386 0.74 LMNA (1.00) LMNAHIF1AROCK2ROCK1RAB9A
SCHEMBL13639895 0.73 KDM4E (0.67) LMNASMN1; SMN2RAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024211969-A1 PPARG MODULATORS Setonix Pharmaceuticals Pty Ltd (AU) 2024-10-17 — — WO disclosed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 — — CN disclosed
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