SCHEMBL8897563

SCHEMBL8897563

Cn1c(C(F)(F)F)c([N+](=O)[O-])c2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAT2A P31153 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL28062862 0.73 ENPP2 (0.43) ALDH1A1MAT2ANTRK1TSHRCYP3A4
SCHEMBL8897690 0.71 CYP11B2 (0.51) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL28062783 0.67 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL9015053 0.66 PSD (0.39) ALDH1A1MEN1KMT2ATSHR
SCHEMBL13295325 0.65 MAPT (0.56) ALDH1A1MAPTLMNANPC1XBP1
SCHEMBL21093315 0.65 MAPT (0.43) ALDH1A1MAPTLMNANPC1XBP1
SCHEMBL28062885 0.65 EGFR (0.46)
SCHEMBL9979914 0.64 MAT2A (0.49) ALDH1A1MAPTMAT2ANTRK1TSHR
SCHEMBL8899162 0.63 CYP11B1 (0.40) ALDH1A1MAPTLMNARAB9AMEN1
SCHEMBL20660692 0.62 HSD11B1 (0.38) MAPTNPC1RAB9AMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143636-A Indoles as insecticides and acaricides AMERICAN CYANAMID CO (US) 1997-02-26 CN disclosed
US-5599832-A INDOLES SUBSTITUTED WITH GROUPS BOTH ELECTRON WITHDRAWING AND LIPOPHILIC; GROWING, HARVESTING AND STORAGE OF CROPS AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5502071-A PLANTS AMERICAN CYANAMID COMPANY (US) 1996-03-26 US disclosed
EP-0697172-A1 Indoles as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1996-02-21 EP disclosed