SCHEMBL7820965

SCHEMBL7820965

O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX5 P09917 1/20 0.55
RORC P51449 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52

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
SCHEMBL7820959 0.90 TP53 (0.56) POLBMEN1KMT2AMAPTLMNA
SCHEMBL6900995 0.85 CYP1A2 (0.63) POLBMEN1KMT2AMAPTLMNA
SCHEMBL12189440 0.80 MAPT (0.58) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL16737157 0.80 MEN1 (0.69) POLBKDM4EMEN1KMT2AMAPT
Naptalam SCHEMBL54940 0.78 HSD17B10 (0.74) POLBKDM4EMEN1KMT2AMAPT
Naptalam SCHEMBL8537412 0.78 HSD17B10 (0.74) POLBKDM4EMEN1KMT2AMAPT
Naptalam SCHEMBL29469565 0.78 HSD17B10 (0.74) POLBKDM4EMEN1KMT2AMAPT
Naptalam SCHEMBL29610802 0.78 HSD17B10 (0.74) POLBKDM4EMEN1KMT2AMAPT
Naptalam SCHEMBL984498 0.77 HSD17B10 (0.72) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL7825604 0.76 KCNMA1 (0.73) KDM4EMEN1KMT2AMAPTLMNA

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed