SCHEMBL7620045

SCHEMBL7620045

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HSD17B10 Q99714 2/20 0.43
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VCAM1 P19320 4/20 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
SCHEMBL10420952 0.87 ALDH1A1 (0.48) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL2143287 0.87 ALDH1A1 (0.54) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL31257796 0.85 TDP1 (0.53) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL2002527 0.85 TDP1 (0.53) TSHRTDP1ALDH1A1HSD17B10MAPK1
SCHEMBL29099822 0.85 TDP1 (0.53) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL2002160 0.84 ALDH1A1 (0.44) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL27843142 0.84 TSHR (0.45) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL5200982 0.84 ALDH1A1 (0.41) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL27897987 0.84 TSHR (0.41) TSHRTDP1ALDH1A1GRIN2DGRIN3B
SCHEMBL18350282 0.84 GRIN2D (0.41) TSHRTDP1ALDH1A1GRIN2DGRIN3B

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-6432609-B1 MIXTURE OF ACID GENERATOR AND POLYMER; CROSSLINKING NATIONAL SCIENCE COUNCIL (TW) 2002-08-13 US claimed
US-6432609-B1 MIXTURE OF ACID GENERATOR AND POLYMER; CROSSLINKING NATIONAL SCIENCE COUNCIL (TW) 2002-08-13 US disclosed