SCHEMBL31258255

SCHEMBL31258255

O=C(O)c1c(Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PHGDH O43175 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41

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
SCHEMBL29274282 0.81 NPC1 (0.61) L3MBTL1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL9076056 0.78 TDP1 (0.53) L3MBTL1TDP1NPC1LMNARAB9A
SCHEMBL8477526 0.77 TDP1 (0.60) L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL8477522 0.77 TDP1 (0.60) L3MBTL1TDP1ALDH1A1HPGDPLK1
SCHEMBL17336305 0.77 TDP1 (0.65) L3MBTL1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL1584680 0.76 TDP1 (0.58) L3MBTL1TDP1ALDH1A1CYP1A2HPGD
SCHEMBL17554421 0.76 TDP1 (0.58) L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL20185133 0.75 L3MBTL1 (0.57) L3MBTL1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL1554602 0.75 TDP1 (0.75) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL4360071 0.74 TSHR (0.45) L3MBTL1NPC1LMNARAB9ASMN1; SMN2

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
CN-119039526-A Special polycarboxylate water reducer for desert sand concrete, preparation method of polycarboxylate water reducer and desert sand concrete 科之杰新材料集团有限公司 2024-11-29 CN disclosed