SCHEMBL28351555

SCHEMBL28351555

COc1ccccc1-c1ccc([N+](=O)[O-])cc1OCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.54
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ CYP19A1 P11511 5/20 0.47
▸ CYP11B1 P15538 5/20 0.47
▸ CYP11B2 P19099 5/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 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
SCHEMBL1929569 0.84 MAPT (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL29897285 0.84 MAPT (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL6826390 0.84 MAPT (0.58) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL8866338 0.77 ALPL (0.53) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL1929875 0.77 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL14744341 0.77 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL6927577 0.77 MAPT (0.60) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL11820701 0.76 ALDH1A1 (0.51) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL28351557 0.76 MAPT (0.51) MAPTHPGDSMN1; SMN2NPC1CYP1A2
SCHEMBL15840937 0.76 BAX (0.61) MAPTHPGDSMN1; SMN2NPC1CYP1A2

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-110731342-A plant growth regulator composition 濮阳职业技术学院 2020-01-31 — — CN disclosed
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