SCHEMBL7804239

SCHEMBL7804239

COc1ccc([N+](=O)[O-])cc1C(N)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.49
HSPB1 P04792 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7801213 0.88 TDP1 (0.52) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7801371 0.80 TDP1 (0.49) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7803614 0.79 MAPT (0.46) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL28517356 0.79 TDP1 (0.61) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL17374954 0.77 TDP1 (0.58) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL2962266 0.75 SMN1; SMN2 (0.60) TDP1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7780524 0.75 SMN1; SMN2 (0.43) TDP1HTTHSPB1SMN1; SMN2LMNA
SCHEMBL7804229 0.74 ALDH1A1 (0.42) TDP1HSPB1KMT2AALDH1A1PTGS2
SCHEMBL11697350 0.73 HTT (0.55) TDP1HTTHSPB1SMN1; SMN2LMNA
SCHEMBL16956994 0.73 SMN1; SMN2 (0.57) TDP1HTTSMN1; SMN2LMNAKMT2A

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-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed