SCHEMBL29560427

SCHEMBL29560427

Cc1cccc([N+](=O)[O-])c1COCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL22897899 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL9546811 0.83 CYP3A4 (0.47) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL18184993 0.82 TSHR (0.51) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL18184948 0.79 TSHR (0.49) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL18184998 0.79 TSHR (0.55) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL18184962 0.78 TSHR (0.50) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL18184988 0.77 TSHR (0.46) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL16920872 0.75 S1PR4 (0.40) SMN1; SMN2TSHRL3MBTL1ALDH1A1MAPT
SCHEMBL18184975 0.75 TSHR (0.50) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL10106284 0.74 TSHR (0.62) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed