SCHEMBL31482778

SCHEMBL31482778

[N-]=[N+]=Nc1ccc(C=C(C(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C1 Q04828 4/20 0.49
▸ PTGS2 P35354 4/20 0.44
▸ AKR1C2 P52895 3/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL28065921 0.78 AKR1C1 (0.76) AKR1C1PTGS2AKR1C2AKR1C3HPGD
SCHEMBL28332065 0.76 MAPT (0.62) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL21708800 0.76 MAPT (0.62) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL15518409 0.76 MAPT (0.62) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL13667408 0.75 PTGS2 (0.57) PTGS2HPGDMEN1KMT2AMAPT
Acetophenone SCHEMBL28408032 0.75 PTGS2 (0.47) PTGS2HPGDMAPTALDH1A1LMNA
SCHEMBL14340653 0.74 MEN1 (0.46) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL28584154 0.74 ALDH1A1 (0.58) AKR1C1PTGS2AKR1C2AKR1C3HPGD
SCHEMBL28426802 0.73 AKR1C3 (0.55) PTGS2AKR1C3POLBKDM4EALDH1A1
SCHEMBL25399302 0.72 MAOB (0.49) PTGS2HPGDMEN1KMT2AMAPT

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-119894824-A Hollow silica sol containing 1-valent alkali metal ion and method for producing same 日产化学株式会社 2025-04-25 — — CN disclosed
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