SCHEMBL28323232

SCHEMBL28323232

O=C(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 5/20 0.58
HPGD P15428 4/20 0.58
CYP2C9 P11712 3/20 0.58
CYP1A2 P05177 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TTR P02766 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
RECQL P46063 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 2/20 0.50
CA1 P00915 1/20 0.47

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
SCHEMBL30098373 0.87 GPR35 (0.56) GPR35KMT2AALDH1A1MEN1HPGD
SCHEMBL591200 0.87 GPR35 (0.56) GPR35KMT2AALDH1A1MEN1HPGD
SCHEMBL27978209 0.84 GPR35 (0.51) GPR35KMT2AALDH1A1MEN1HPGD
Trinitrophenol SCHEMBL253750 0.83 GPR35 (0.79) GPR35KMT2AALDH1A1MEN1HPGD
Trinitrophenol SCHEMBL8744 0.83 GPR35 (0.79) GPR35KMT2AALDH1A1MEN1HPGD
SCHEMBL10877588 0.83 GPR35 (0.55) GPR35KMT2AALDH1A1MEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL29350581 0.82 ALDH1A1 (0.61) GPR35KMT2AALDH1A1MEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL28323234 0.82 ALDH1A1 (0.61) GPR35KMT2AALDH1A1MEN1HPGD
3,5-Dinitrosalicylic Acid SCHEMBL125292 0.82 ALDH1A1 (0.61) GPR35KMT2AALDH1A1MEN1HPGD
SCHEMBL11832545 0.81 KMT2A (0.52) GPR35KMT2AALDH1A1MEN1HPGD

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-109628318-A A kind of confirmation method of 9715 strain liquid Spawn incubation terminal of straw mushroom 上海市农业科学院 2019-04-16 CN claimed
CN-110330963-A The discoloration rare earth supermolecular gel fluorescent material of redox response and its preparation 华中科技大学 2019-10-15 CN disclosed