SCHEMBL29890979

SCHEMBL29890979

CN1CCN(c2ccc(-c3ccccc3F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PKM P14618 1/20 0.53
▸ CLEC4M Q9H2X3 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL29890937 0.85 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL28845856 0.83 SMN1; SMN2 (0.61) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL29892052 0.80 WDR5 (0.62) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL30198563 0.79 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL5324355 0.79 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL12909117 0.78 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL2907578 0.77 SIRT6 (0.59) MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL3064690 0.75 HTT (0.68) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL6320483 0.75 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL29426374 0.75 HTT (0.68) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6

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-109734674-B Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof 中国药科大学 2022-08-26 — — CN disclosed
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