SCHEMBL28383022

SCHEMBL28383022

Nc1ccccc1C=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ LMNA P02545 5/20 0.62
▸ HPGD P15428 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ GPR55 Q9Y2T6 1/20 0.62
▸ CYP1B1 Q16678 2/20 0.61
▸ ATM Q13315 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAOB P27338 5/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ BCHE P06276 1/20 0.55

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
SCHEMBL28383021 0.87 BCHE (0.71) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL7101080 0.86 MAPT (0.58) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL28383313 0.86 MAPT (0.58) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL29843588 0.86 MAPT (0.58) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL3498432 0.84 BCHE (0.63) MAPTMAPK1LMNARECQLCYP1B1
SCHEMBL3498434 0.84 BCHE (0.63) MAPTMAPK1LMNARECQLCYP1B1
SCHEMBL1501197 0.84 CYP1B1 (0.61) MAPTMAPK1LMNAHPGDNPC1
Ethyne SCHEMBL27085492 0.83 MAPT (0.55) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL10416123 0.83 MAPT (0.79) MAPTMAPK1LMNAHPGDNPC1
SCHEMBL17459328 0.82 MAPT (1.00) MAPTMAPK1LMNAHPGDNPC1

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-110903288-B Imidazaphenanthridine compound and preparation method and application thereof 浙江大学 2021-02-23 — — CN disclosed
CN-110903288-A Imidazaphenanthridine compound and preparation method and application thereof 浙江大学 2020-03-24 — — CN disclosed
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