SCHEMBL11564941

SCHEMBL11564941

CCOCc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
GPR35 Q9HC97 1/20 0.35
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
VCAM1 P19320 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL11561732 0.85 TSHR (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11562945 0.85 GPR35 (0.36) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11600578 0.85 GRIN2D (0.43) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11319450 0.81 GRIN2D (0.40) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11565759 0.79 GPR35 (0.42) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11566384 0.79 MAOB (0.44) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL11565097 0.77 GPR35 (0.40) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11332666 0.75 TSHR (0.36) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11870571 0.75 GRIN2D (0.53) ALDH1A1TSHRTDP1GRIN2DGRIN3B
SCHEMBL11564938 0.74 ALOX15 (0.40) ALDH1A1TSHRTDP1GRIN2DGRIN3B

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
US-4180679-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-12-25 US claimed
US-4180679-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-12-25 US disclosed