SCHEMBL6892244

SCHEMBL6892244

CCc1nc(OC)c(NC(=NOC)N2CCN(c3cc(F)cc(F)c3)CC2)cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK10 P53779 1/20 0.32
GPR6 P46095 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL6672631 0.92 MAPT (0.38) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6650199 0.86 ALDH1A1 (0.51) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL7044224 0.83 KMT2A (0.38) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6678066 0.82 PHGDH (0.35) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6678777 0.82 PHGDH (0.37) MAPTKDM4EKMT2AGAAL3MBTL1
SCHEMBL6679154 0.82 MAPT (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6672628 0.81 KMT2A (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL6892239 0.81 KMT2A (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL5394355 0.81 MAPT (0.42) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL6673181 0.80 MAPT (0.40) MAPTKDM4EALDH1A1KMT2AMEN1

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
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed