SCHEMBL20630984

SCHEMBL20630984

COc1cc(-c2cc[nH]n2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 11/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL27858187 0.83 MAPT (0.44) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL27680977 0.82 MEN1 (0.45) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL31443866 0.81 CHEK1 (0.33) CHEK1ALDH1A1TDP1LMNAPDE4A
SCHEMBL11224598 0.81 CHEK1 (0.61) CHEK1ALDH1A1TDP1LMNASIRT6
SCHEMBL10724484 0.79 CHEK1 (0.48) CHEK1ALDH1A1TDP1LMNASIRT6
SCHEMBL2389958 0.78 PDE4A (0.61) ALDH1A1TDP1LMNAPDE4APDE4B
SCHEMBL30395745 0.77 CHEK1 (0.52) CHEK1ALDH1A1TDP1LMNASIRT6
SCHEMBL26087669 0.77 CHEK1 (0.52) CHEK1ALDH1A1TDP1LMNASIRT6
SCHEMBL29033980 0.77 MAPT (0.52) ALDH1A1TDP1MAPTL3MBTL1MEN1
SCHEMBL29033968 0.77 MAPT (0.41) ALDH1A1TDP1MAPTMEN1KMT2A

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
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 — — EP disclosed
WO-2019008011-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-10 — — WO disclosed
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