SCHEMBL8068840

SCHEMBL8068840

CC(=O)Nc1cc(N2CCNCC2C)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 6/20 0.43
MAPT P10636 8/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.39
BRPF1 P55201 2/20 0.37
BRD4 O60885 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF3 Q9ULD4 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 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
SCHEMBL8073995 0.75 GPR174 (0.54) GPR174MAPTLMNAGAAALDH1A1
SCHEMBL8103160 0.74 MAPT (0.62) GPR174MAPTLMNAGAAALDH1A1
SCHEMBL8070760 0.73 MAPT (0.50) GPR174MAPTLMNAGAAALDH1A1
SCHEMBL16580890 0.73 ALDH1A1 (0.49) MAPTLMNAGAAALDH1A1KCNH2
SCHEMBL1425030 0.72 MAPT (0.55) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8587625 0.72 HTT (0.44) MAPTALDH1A1SMN1; SMN2MAPK1BRPF1
SCHEMBL8074360 0.71 GPR174 (0.45) GPR174MAPTLMNAGAAALDH1A1
SCHEMBL6200231 0.71 BRPF1 (0.41) BRPF1BRD4BRD1BRPF3
SCHEMBL8074358 0.69 GPR174 (0.48) GPR174MAPTLMNAGAAALDH1A1
SCHEMBL6202631 0.69 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2MAPK1

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-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed