SCHEMBL11080788

SCHEMBL11080788

CC(NC(=O)C(=O)Nc1ccncc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MDM2 Q00987 1/20 0.47
▸ ROCK2 O75116 4/20 0.47
▸ ROCK1 Q13464 4/20 0.47
▸ CHEK1 O14757 2/20 0.47
▸ PLK1 P53350 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ PRKX P51817 1/20 0.47
▸ CSNK1G2 P78368 1/20 0.47
▸ PRKCZ Q05513 1/20 0.47

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
SCHEMBL11076637 0.83 SMN1; SMN2 (0.55) LMNAMEN1POLBKMT2ASMN1; SMN2
SCHEMBL11078900 0.82 NPC1 (0.60) LMNAMEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL11072591 0.80 BCHE (0.58) LMNAMEN1POLBKMT2ASMN1; SMN2
SCHEMBL8940750 0.79 ROCK2 (0.44) LMNAMEN1POLBKMT2ASMN1; SMN2
SCHEMBL11083219 0.76 NT5E (0.60) LMNAMEN1KMT2AROCK2ROCK1
SCHEMBL13588772 0.74 MDM2 (0.55) LMNAMEN1KMT2AMDM2ROCK2
Pinacidil Anhydrous SCHEMBL9271625 0.72 ABCC9 (0.56) LMNAMEN1POLBKMT2ASMN1; SMN2
Pinacidil Anhydrous SCHEMBL2131829 0.72 ABCC9 (0.56) LMNAMEN1POLBKMT2ASMN1; SMN2
Pinacidil Anhydrous SCHEMBL9275528 0.72 ABCC9 (0.56) LMNAMEN1POLBKMT2ASMN1; SMN2
Pinacidil Anhydrous SCHEMBL65788 0.72 ABCC9 (0.56) LMNAMEN1POLBKMT2ASMN1; SMN2

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-0119428-A2 Biscarboxamides for treating diseases, and process for their preparation BAYER AG (DE) 1984-09-26 — — EP disclosed
Send feedback