SCHEMBL28351557

SCHEMBL28351557

COc1cccc(-c2ccc([N+](=O)[O-])cc2)c1OCCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTR1A P08908 4/20 0.50
▸ ADRA1D P25100 4/20 0.50
▸ ADRA1A P35348 4/20 0.50
▸ ADRA1B P35368 4/20 0.50
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL3832194 0.76 ADORA3 (0.56) MAPTSMN1; SMN2LMNAADORA3ADORA2A
SCHEMBL28351555 0.76 MAPT (0.54) MAPTSMN1; SMN2HPGDLMNAHTR1A
SCHEMBL8552300 0.74 SMN1; SMN2 (0.73) MAPTSMN1; SMN2HPGDLMNAHTR1A
SCHEMBL28160764 0.72 CYP19A1 (0.56) MAPTSMN1; SMN2LMNAHTR1AADRA1D
SCHEMBL29897285 0.72 MAPT (0.58) MAPTSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL6826390 0.72 MAPT (0.58) MAPTSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL1929569 0.72 MAPT (0.58) MAPTSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL5544388 0.69 APP (0.42) MAPTSMN1; SMN2HPGDLMNAADORA3
SCHEMBL20610267 0.69 MEN1 (0.55) MAPTSMN1; SMN2LMNAHTR1AADRA1D
SCHEMBL378659 0.68 KCNH2 (0.55) MAPTLMNAALDH1A1GAA

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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