SCHEMBL6236911

SCHEMBL6236911

COc1cc(CNCCc2ncc(C)s2)ccc1OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.48
BCHE P06276 2/20 0.48
NLRP3 Q96P20 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6235290 0.89 PLK1 (0.40) PLK1BCHENLRP3KMT2AMEN1
SCHEMBL6231278 0.86 PTPRZ1 (0.41) PLK1BCHEKMT2AMEN1NTRK1
SCHEMBL6239778 0.86 BCHE (0.65) PLK1BCHENLRP3KMT2AMEN1
SCHEMBL6232647 0.85 PDCD1 (0.41) PLK1KMT2AMEN1KDM4ELMNA
SCHEMBL6232926 0.85 PTPRZ1 (0.42) BCHEKMT2AMEN1KDM4EALDH1A1
SCHEMBL6236888 0.80 SMN1; SMN2 (0.55) PLK1BCHENLRP3KMT2AMEN1
SCHEMBL6235480 0.80 BCHE (0.53) PLK1BCHENLRP3KMT2AMEN1
SCHEMBL6236909 0.80 NTRK1 (0.41) PLK1KMT2AMEN1KDM4ELMNA
SCHEMBL6232919 0.79 PTPRZ1 (0.44) BCHEKMT2AMEN1TAAR1LMNA
SCHEMBL6230157 0.77 KMT2A (0.58) PLK1BCHENLRP3KMT2AMEN1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed