SCHEMBL10697019

SCHEMBL10697019

Nc1nc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TXNRD1 Q16881 5/20 0.32
ALDH1A1 P00352 2/20 0.32
MAOA P21397 1/20 0.31
AR P10275 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
SCHEMBL10698562 0.93 TDP1 (0.34) POLBMAPTNPSR1TSHRTXNRD1
SCHEMBL10696523 0.81 MAPT (0.36) POLBMAPTNPSR1TSHRTXNRD1
SCHEMBL10696364 0.79 EPAS1 (0.36) POLBMAPTNPSR1TSHRTXNRD1
SCHEMBL10696669 0.78 POLB (0.39) POLBMAPTNPSR1SMN1; SMN2TXNRD1
SCHEMBL10698683 0.78 TDP1 (0.44) POLBMAPTNPSR1TSHRSMN1; SMN2
SCHEMBL10696869 0.76 TDP1 (0.41) POLBMAPTNPSR1TSHRSMN1; SMN2
SCHEMBL10698177 0.75 TDP1 (0.36) POLBMAPTNPSR1TSHRTXNRD1
SCHEMBL10698045 0.74 POLB (0.39) POLBMAPTNPSR1TSHRSMN1; SMN2
SCHEMBL10702678 0.72 POLB (0.37) POLBMAPTNPSR1TSHRTXNRD1
SCHEMBL898028 0.71 ALDH1A1 (0.42) POLBMAPTNPSR1TSHRTXNRD1

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
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed