SCHEMBL6509839

SCHEMBL6509839

CCOC(=O)C1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
GPR174 Q9BXC1 4/20 0.58
ALDH1A1 P00352 3/20 0.55
CTSB P07858 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
VCAM1 P19320 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6501188 0.83 TDP1 (0.60) MAPTHTTGPR174ALDH1A1MAPK1
SCHEMBL3435055 0.83 MAPT (0.74) MAPTTP53HTTGPR174ALDH1A1
SCHEMBL13648194 0.81 MAPT (0.64) MAPTTP53HTTGPR174ALDH1A1
SCHEMBL7475373 0.81 MAPT (0.56) MAPTTP53HTTGPR174ALDH1A1
SCHEMBL13999700 0.79 MAPT (0.75) MAPTTP53HTTGPR174ALDH1A1
SCHEMBL6529147 0.78 MAPT (0.68) MAPTTP53HTTALDH1A1CTSB
SCHEMBL38658829 0.78 MAPT (0.75) MAPTTP53HTTGPR174ALDH1A1
SCHEMBL3435998 0.78 MAPT (0.74) MAPTTP53HTTALDH1A1CTSB
SCHEMBL12643869 0.78 MAPT (0.70) MAPTTP53HTTALDH1A1CTSB
SCHEMBL3435047 0.78 MAPT (0.69) MAPTTP53HTTALDH1A1CTSB

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
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed