SCHEMBL30449461

SCHEMBL30449461

O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 1.00
MAPT P10636 8/20 0.78
ALDH1A1 P00352 6/20 0.78
RAB9A P51151 3/20 0.78
LMNA P02545 3/20 0.78
ATM Q13315 2/20 0.78
HSP90AA1 P07900 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
AR P10275 1/20 0.60
BCHE P06276 2/20 0.59
CYP1B1 Q16678 2/20 0.59
DBH P09172 1/20 0.58
PRMT5 O14744 1/20 0.58

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
SCHEMBL5474931 1.00 MAOB (1.00) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL30209186 1.00 MAOB (1.00) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL5474937 1.00 MAOB (1.00) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL8965397 0.89 MAOB (0.81) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL11804633 0.89 MAOB (0.81) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL8965401 0.89 MAOB (0.81) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL10855293 0.88 MAOB (0.78) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL15807349 0.88 MAPT (1.00) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL14464471 0.88 MAPT (1.00) MAOBMAPTALDH1A1RAB9ALMNA
SCHEMBL10855303 0.88 MAOB (0.78) MAOBMAPTALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677553-B Near-infrared absorption hole transport material and preparation method thereof 天津大学 2024-10-18 CN claimed
CN-118165021-A Near infrared absorbing dye and preparation method thereof 天津大学 2024-06-11 CN claimed
CN-118027896-A Near-infrared band wide-absorption inorganic-organic hybrid near-infrared absorbent and preparation method thereof 上海航空电器有限公司 2024-05-14 CN claimed
CN-115850993-B Chiral amphiphilic near-infrared aza-BODIPY dye and preparation method thereof 天津大学 2023-09-15 CN claimed
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 EP disclosed