SCHEMBL7434718

SCHEMBL7434718

O=C(N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
LMNA P02545 5/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 5/20 0.55
HTT P42858 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.46
GPR174 Q9BXC1 1/20 0.46

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
SCHEMBL23200463 0.85 MAPT (0.70) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL5989854 0.84 MAPT (0.72) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL5763109 0.83 ENPP2 (0.58) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL13156273 0.81 MAPT (0.75) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL28038606 0.79 ALDH1A1 (0.67) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL7424178 0.79 ALDH1A1 (0.57) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL5324355 0.78 MAPT (0.63) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL30198563 0.78 MAPT (0.63) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL1110499 0.78 GAA (0.69) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL3485338 0.78 GAA (0.69) MAPTLMNAMAPK1ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117651-A1 NEW BIS-BENZIMIDAZOLES Bayer Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000020401-A1 NEW BIS-BENZIMIDAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-13 WO disclosed