SCHEMBL8621708

SCHEMBL8621708

CCC(C)OP(=O)(O)CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 9/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 4/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
CTSB P07858 2/20 0.36

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
SCHEMBL8616429 0.92 MAPT (0.42) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8618866 0.84 MAPT (0.45) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8623637 0.83 MAPT (0.40) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622978 0.83 MAPT (0.43) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8621438 0.80 MAPT (0.41) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8621400 0.80 MAPT (0.43) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8619769 0.80 CDK2 (0.36) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8616781 0.78 MAPT (0.38) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8622852 0.78 LMNA (0.40) MAPTALDH1A1HPGDLMNAATM
SCHEMBL8621704 0.78 MAPT (0.52) MAPTALDH1A1HPGDLMNAATM

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-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed