SCHEMBL22329031

SCHEMBL22329031

CC(N)/C=C\C(N)C(=O)Oc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MGLL Q99685 2/20 0.41
MAPT P10636 3/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL22329006 0.82 LMNA (0.46) MAPTALDH1A1GAAELANELMNA
SCHEMBL5014648 0.82 PARP15 (0.47) PARP15PARP10PARP2MGLLMAPT
SCHEMBL22329003 0.80 ELANE (0.45) MAPTALDH1A1GAAELANEKDM4E
SCHEMBL22329039 0.79 ALDH1A3 (0.45) PARP10MAPTALDH1A1SMN1; SMN2ELANE
SCHEMBL19441077 0.75 MGLL (0.47) PARP15PARP10PARP2MGLLMAPT
SCHEMBL11805237 0.74 F2 (0.43) PARP15PARP10PARP2MGLLMAPT
SCHEMBL10033505 0.73 MGLL (0.51) PARP15PARP10PARP2MGLLMAPT
SCHEMBL18671102 0.70 MGLL (0.54) PARP15PARP10PARP2MGLLMAPT
SCHEMBL11147711 0.70 MMP2 (0.56) MGLLMAPTMMP2MMP3ALDH1A1
SCHEMBL27559839 0.70 MGLL (0.48) PARP15PARP10PARP2MGLLMAPT

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-2975663-B1 ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE LG CHEMICAL LTD (KR) 2020-08-12 EP disclosed