SCHEMBL8980284

SCHEMBL8980284

Nc1cccc(C(=O)C[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.49
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KMO O15229 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL4869301 0.81 CA12 (0.50) ALDH1A1KMOKDM4ETSHRCA2
SCHEMBL9035708 0.81 CES2 (0.55) NPC1LMNAPOLBKDM4ESMN1; SMN2
SCHEMBL11756446 0.81 TP53 (0.56) NPC1KMOKDM4EMAPTRAB9A
SCHEMBL3863357 0.80 LOXL2 (0.51) ALDH1A1NPC1KMOMEN1RAB9A
SCHEMBL339923 0.79 ERCC5 (0.58) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1277041 0.79 PARP1 (0.50) NPC1LMNAPOLBKDM4ESMN1; SMN2
SCHEMBL5619554 0.79 PARP1 (0.50) ALDH1A1NPC1MAPTMEN1RAB9A
SCHEMBL28415551 0.79 CES2 (0.66) ALDH1A1MITFLMNAKMOKDM4E
Hydrochloric Acid SCHEMBL1277032 0.79 LOXL2 (0.50) ALDH1A1NPC1KMOMEN1RAB9A
SCHEMBL26966709 0.78 KMT2A (0.44) ALDH1A1NPC1LMNAPOLBKDM4E

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
US-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed