SCHEMBL30648237

SCHEMBL30648237

[N-]=[N+]=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL30648242 1.00 CES2 (0.54) CES2CES1F2PLGPLAU
SCHEMBL30648236 1.00 CES2 (0.54) CES2CES1F2PLGPLAU
SCHEMBL11300618 1.00 CES2 (0.54) CES2CES1F2PLGPLAU
SCHEMBL2208486 0.79 CES2 (0.50) CES2CES1F2PLGPLAU
SCHEMBL28526969 0.75 CES2 (0.46) CES2CES1F2PLGPLAU
SCHEMBL5046739 0.75 CES2 (0.55) CES2CES1F2PLGPLAU
SCHEMBL2837486 0.74 CES2 (0.65) CES2CES1F2PLGPLAU
SCHEMBL7116056 0.74 CES2 (0.43) CES2CES1F2SMN1; SMN2KDM4E
SCHEMBL8715691 0.71 ALDH1A1 (0.61) CES2CES1SMN1; SMN2KDM4EHPGD
SCHEMBL81262 0.71 CES1 (0.41) CES2CES1F2PRSS1SMN1; SMN2

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-4523152-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVision Imaging Technologies GmbH (DE) 2025-03-19 EP disclosed
WO-2023218402-A1 SYSTEMS AND METHODS FOR QUANTUM COMPUTING NVISION IMAGING TECHNOLOGIES GMBH (DE) 2023-11-16 WO disclosed