SCHEMBL27878426

SCHEMBL27878426

CCF.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 4/20 0.54
ALDH1A1 P00352 6/20 0.52
TSHR P16473 4/20 0.52
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR35 Q9HC97 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
CTSD P07339 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
Butane SCHEMBL27519037 0.88 HSD17B10 (0.60) HSD17B10TDP1ALDH1A1TSHRNPC1
Alcohol SCHEMBL27548373 0.86 HSD17B10 (0.58) HSD17B10TDP1ALDH1A1TSHRNPC1
Ethane SCHEMBL27611887 0.85 HSD17B10 (0.68) HSD17B10TDP1ALDH1A1TSHRNPC1
SCHEMBL22566 0.84 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1TSHRNPC1
SCHEMBL29577518 0.84 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1TSHRNPC1
SCHEMBL16355165 0.84 HSD17B10 (0.67) HSD17B10TDP1ALDH1A1TSHRNPC1
Ethane SCHEMBL27905373 0.82 HSD17B10 (0.65) HSD17B10TDP1ALDH1A1TSHRNPC1
Methyl Alcohol SCHEMBL27808930 0.82 HSD17B10 (0.65) HSD17B10TDP1ALDH1A1TSHRNPC1
Ethane SCHEMBL27907717 0.82 HSD17B10 (0.65) HSD17B10TDP1ALDH1A1TSHRNPC1
Ethane SCHEMBL27839335 0.82 HSD17B10 (0.65) HSD17B10TDP1ALDH1A1TSHRNPC1

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-102558229-A Method for preparing dinitro phenethyl fluoro diethyl phosphite SHANGHAI SINOFLUORO SCIENT CO 2012-07-11 CN claimed
CN-102558229-A Method for preparing dinitro phenethyl fluoro diethyl phosphite SHANGHAI SINOFLUORO SCIENT CO 2012-07-11 CN disclosed