SCHEMBL27640385

SCHEMBL27640385

Cc1cc(Cn2cccn2)ccc1[N+](=O)[O-].Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
TSHR P16473 3/20 0.50
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
BLM P54132 1/20 0.42
CYP19A1 P11511 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CASP6 P55212 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
HCAR3 P49019 3/20 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
SCHEMBL5906474 0.85 HTT (0.46) HTTTSHRHDAC1HDAC6L3MBTL1
SCHEMBL28837235 0.80 HTT (0.55) HTTTSHRHDAC1HDAC6CYP19A1
SCHEMBL27870573 0.76 TSHR (0.54) HTTTSHRL3MBTL1RAB9AKMT2A
SCHEMBL28792687 0.74 MEN1 (0.46) HTTTSHRL3MBTL1RAB9AKMT2A
SCHEMBL23529643 0.72 MEN1 (0.47) HTTTSHRHDAC1HDAC6CYP19A1
SCHEMBL3584847 0.72 HDAC1 (0.70) HTTTSHRHDAC1HDAC6L3MBTL1
SCHEMBL27640378 0.71 TSHR (0.47) TSHRL3MBTL1BLMCYP19A1RAB9A
SCHEMBL30538376 0.70 GAA (0.51) HTTTSHRHDAC1HDAC6KMT2A
SCHEMBL264768 0.70 TSHR (1.00) TSHRL3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL28757250 0.70 CYP19A1 (0.63) CYP19A1KMT2A

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-100522952-C Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-05 CN disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 CN disclosed