SCHEMBL7312644

SCHEMBL7312644

COC(=O)C1=C(C)N(c2ccccc2[N+](=O)[O-])C(C)=C(C(=O)OC)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HTT P42858 3/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 9/20 0.47
TSHR P16473 2/20 0.45
LMNA P02545 3/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44
KCNK2 O95069 1/20 0.44
ABCB11 O95342 1/20 0.44
GSR P00390 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 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
SCHEMBL9478016 0.85 TDP1 (0.44) MAPTKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL10666257 0.83 ALDH1A1 (0.45) MAPTKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL10823922 0.81 ALDH1A1 (0.41) MAPTKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL10667981 0.78 KCNH2 (0.43) MAPTKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL10663288 0.77 ALDH1A1 (0.41) MAPTKMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL10727147 0.77 MAPT (0.48) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10823909 0.75 KMT2A (0.40) MAPTKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL8072110 0.71 ALDH1A1 (0.44) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10543420 0.71 L3MBTL1 (0.39) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4153261 0.71 ALDH1A1 (0.42) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1

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-0229644-A2 Method of use for diltiazem, verapamil or nifedipine having activity for the treatment of stroke WARNER-LAMBERT COMPANY (US) 1987-07-22 EP disclosed