SCHEMBL27705159

SCHEMBL27705159

Cc1cc(C(O)CF)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14997909 0.88 GRM8 (0.48) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL5462439 0.86 TSHR (0.49) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL16950430 0.81 MAPT (0.45) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL2883857 0.80 TSHR (0.53) TSHRMAPTALDH1A1RAB9APOLB
SCHEMBL26352809 0.80 TSHR (0.53) TSHRMAPTALDH1A1RAB9APOLB
SCHEMBL26352787 0.80 TSHR (0.53) TSHRMAPTALDH1A1RAB9APOLB
SCHEMBL27945478 0.79 TSHR (0.51) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1755269 0.78 MAPT (0.51) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL19179770 0.78 APP (0.48) TSHRMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL12609942 0.77 TSHR (0.41) TSHRMAPTALDH1A1RAB9ASMN1; SMN2

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
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
CN-101198589-A N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG (DE) 2008-06-11 CN disclosed