SCHEMBL28387971

SCHEMBL28387971

Nc1ccccc1C=CC(=O)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ATM Q13315 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CYP1A1 P04798 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ BCHE P06276 1/20 0.51
▸ RELA Q04206 2/20 0.50
▸ HTT P42858 2/20 0.49

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
SCHEMBL21647109 0.84 AR (0.65) MAPTALDH1A1LMNAATMKMT2A
SCHEMBL29837038 0.84 AR (0.65) MAPTALDH1A1LMNAATMKMT2A
SCHEMBL21647108 0.84 AR (0.65) MAPTALDH1A1LMNAATMKMT2A
SCHEMBL3498434 0.83 BCHE (0.63) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3498432 0.83 BCHE (0.63) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL29843588 0.82 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7101080 0.82 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL28383313 0.82 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5093581 0.80 MAPT (0.50) MAPTALDH1A1LMNAATMKMT2A
Ethyne SCHEMBL27085492 0.80 MAPT (0.55) MAPTALDH1A1LMNAKMT2AMEN1

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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