SCHEMBL27705161

SCHEMBL27705161

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.43
AR P10275 2/20 0.43
PGR P06401 1/20 0.43
GPR35 Q9HC97 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3778792 0.84 MAPK1 (0.55) TSHRMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL30822033 0.84 MAPK1 (0.55) TSHRMAPTALDH1A1HSD17B10CYP3A4
SCHEMBL6640596 0.82 MAPT (0.55) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL6690245 0.81 MAPT (0.50) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL29910964 0.81 MAPT (0.50) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL550419 0.79 TSHR (0.44) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL28542690 0.77 TSHR (0.53) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL10661420 0.77 MAPT (0.53) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL4766000 0.76 NPSR1 (0.57) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL19433209 0.75 MAPT (0.47) TSHRMAPTRAB9AMEN1KMT2A

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