SCHEMBL6644343

SCHEMBL6644343

O=[N+]([O-])Cc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
GSR P00390 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
DAO P14920 1/20 0.41
NR1D1 P20393 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MC4R P32245 1/20 0.41
MC5R P33032 1/20 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
SCHEMBL9514129 0.81 CYP1A2 (0.49) CYP1A2CYP2A6KMT2AMEN1MAPT
SCHEMBL9321479 0.76 TSHR (0.45) CYP1A2
SCHEMBL28028464 0.75 DAO (0.50) KMT2AMEN1MAPTDAO
SCHEMBL28028731 0.75 ALDH1A1 (0.46) CYP1A2KMT2AMEN1MAPTDAO
SCHEMBL9322428 0.75 LOXL2 (0.42) CYP1A2
SCHEMBL9423246 0.74 MAPT (0.55) CYP1A2KMT2AMEN1MAPTALPG
SCHEMBL27673225 0.73 CPA1 (0.47) CYP1A2
SCHEMBL73253 0.73 CPA1 (0.47) CYP1A2
SCHEMBL4610282 0.73 CYP1A2 (0.47) CYP1A2CYP2A6KMT2AMEN1MAPT
SCHEMBL10718683 0.73 GSR (0.47) CYP1A2CYP2A6KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562107-A Heterocyclic degrading ligand for target protein degradation C4医药公司 2019-04-02 CN disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed