SCHEMBL9712359

SCHEMBL9712359

Cc1c(C=O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.42
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 2/20 0.35
DCTPP1 Q9H773 1/20 0.34

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
SCHEMBL28107054 0.81 ALDH1A1 (0.50) TDP1ALDH1A1TSHRHSD17B10ERN1
SCHEMBL4847750 0.81 TSHR (0.45) VCAM1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL7620045 0.81 TSHR (0.46) VCAM1TDP1ALDH1A1TSHRGRIN2D
SCHEMBL28037942 0.79 TSHR (0.52) VCAM1TDP1ALDH1A1TSHRGRIN2D
SCHEMBL532121 0.79 ERN1 (0.50) TDP1ALDH1A1ERN1
SCHEMBL10420952 0.77 ALDH1A1 (0.48) TDP1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL28206395 0.76 ALDH1A1 (0.44) VCAM1TDP1ALDH1A1TSHRGRIN2D
SCHEMBL2002527 0.76 TDP1 (0.53) VCAM1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL11868078 0.75 ERN1 (0.46) VCAM1TDP1ALDH1A1TSHRGRIN2D
SCHEMBL535219 0.75 VCAM1 (0.42) VCAM1TDP1ALDH1A1TSHRHSD17B10

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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed