SCHEMBL28977297

SCHEMBL28977297

Nn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ POLB P06746 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ S100A4 P26447 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL155568 0.80 MAPT (0.83) MAPTPOLBATMMEN1KMT2A
SCHEMBL30600488 0.80 MAPT (0.83) MAPTPOLBATMMEN1KMT2A
SCHEMBL28866731 0.77 MAPT (0.54) MAPTPOLBATMMEN1KMT2A
SCHEMBL148001 0.76 MAPT (0.85) MAPTPOLBATMMEN1KMT2A
SCHEMBL21093059 0.76 MAPT (0.57) MAPTPOLBATMMEN1KMT2A
SCHEMBL29539965 0.76 MAPT (0.85) MAPTPOLBATMMEN1KMT2A
SCHEMBL11651352 0.76 MAPT (0.53) MAPTPOLBATMMEN1KMT2A
SCHEMBL16312615 0.75 MAPT (0.49) MAPTPOLBATMMEN1KMT2A
SCHEMBL18109229 0.74 MEN1 (0.62) MAPTPOLBATMMEN1KMT2A
SCHEMBL150552 0.73 MAPT (1.00) MAPTPOLBATMMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200906-B Carbazole triamine derivative and preparation method and application thereof 南京工业大学 2023-02-17 — — CN claimed
CN-113200906-A Carbazole triamine derivative and preparation method and application thereof 南京工业大学 2021-08-03 — — CN claimed
CN-113200906-B Carbazole triamine derivative and preparation method and application thereof 南京工业大学 2023-02-17 — — CN disclosed
CN-113200906-A Carbazole triamine derivative and preparation method and application thereof 南京工业大学 2021-08-03 — — CN disclosed
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