SCHEMBL11544441

SCHEMBL11544441

C=Cc1ccc2cc(OC)cc([N+](=O)[O-])c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
MAPT P10636 8/20 0.51
MEN1 O00255 10/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
AGTR1 P30556 1/20 0.47
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
PIM1 P11309 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 3/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL12120523 0.80 TXNRD1 (0.47) KMT2AMAPTMEN1NPSR1CYP19A1
SCHEMBL10622390 0.80 RELA (0.52) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11072978 0.79 MERTK (0.55) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11545271 0.79 MAPT (0.49) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL4728549 0.78 RELA (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL20838499 0.76 MEN1 (0.50) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11545397 0.75 XDH (0.45) KMT2AMAPTSMN1; SMN2NPSR1CYP19A1
SCHEMBL1378967 0.73 HSP90AA1 (0.62) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11548951 0.73 ADORA3 (0.44) KMT2AMAPTMEN1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11543518 0.71 MAPT (0.38) KMT2AMAPTMEN1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 US disclosed