SCHEMBL4754075

SCHEMBL4754075

CNC(=O)c1ccc(OCC#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 6/20 0.65
▸ HPGD P15428 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MMP13 P45452 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GUSB P08236 1/20 0.44

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
SCHEMBL1249230 0.81 MAPT (0.66) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8421926 0.81 MAPT (0.65) HPGDHTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL30172106 0.79 PKM (0.56) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2528973 0.79 PLK1 (1.00) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL14341662 0.77 PLK1 (0.71) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL27423425 0.77 PLK1 (0.71) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL27316975 0.77 PARP10 (0.59) ALDH1A1
SCHEMBL4751948 0.76 PLK1 (0.69) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL12839873 0.76 PLK1 (0.87) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL11962158 0.76 PLK1 (1.00) PLK1HPGDTSHRHTTSMN1; 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
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 — — WO disclosed
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