SCHEMBL8044751

SCHEMBL8044751

COC(C)N(c1cc(C)nc(Cl)c1[N+](=O)[O-])C(C)OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.31
S1PR4 O95977 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
VCAM1 P19320 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8044755 0.75 CRHR1 (0.43) S1PR4LMNAVCAM1POLB
SCHEMBL8809905 0.72 LMNA (0.45) MAPTKDM4EBLMTDP1HTT
SCHEMBL29672031 0.71 ALDH1A1 (0.50) MAPTTDP1HTTS1PR4LMNA
SCHEMBL29779688 0.71 ALDH1A1 (0.47) MAPTTDP1HTTLMNATSHR
SCHEMBL563664 0.71 ALDH1A1 (0.50) MAPTTDP1HTTS1PR4LMNA
SCHEMBL1625178 0.71 ALDH1A1 (0.47) MAPTTDP1HTTLMNATSHR
SCHEMBL23530034 0.69 NR4A2 (0.43) MAPTTDP1HTTLMNAALDH1A1
SCHEMBL5844440 0.68 CRHR1 (0.43) MAPT
SCHEMBL20595552 0.68 ALDH1A1 (0.45) MAPTTDP1HTTLMNATSHR
SCHEMBL30014602 0.68 ALDH1A1 (0.45) MAPTTDP1HTTLMNATSHR

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-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed