SCHEMBL8027121

SCHEMBL8027121

Nc1c([N+](=O)[O-])ccc(Cl)c1CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 7/20 0.45
POLB P06746 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
VCAM1 P19320 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8037483 0.87 MEN1 (0.59) MEN1KMT2AALDH1A1POLBCYP1A2
SCHEMBL8040498 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8040471 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8037120 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6736692 0.74 ALDH1A1 (0.71) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7574943 0.73 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL17095630 0.72 POLB (0.73) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL8043322 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5635430 0.71 TDP1 (0.67) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL8038946 0.71 MAPT (0.46) ALDH1A1MAPTLMNATDP1KDM4E

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-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed