SCHEMBL11544229

SCHEMBL11544229

COc1cc(N)c2ncccc2c1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.65
CASP6 P55212 2/20 0.65
G6PD P11413 1/20 0.65
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPY1R P25929 1/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 4/20 0.40
MEN1 O00255 3/20 0.40
HSP90AB1 P08238 2/20 0.40
MAPT P10636 2/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ATM Q13315 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL8627392 0.81 NSD2 (0.72) NSD2CASP6G6PDMAOAMAOB
SCHEMBL2268383 0.80 NSD2 (0.70) NSD2CASP6G6PDMAOAMAOB
SCHEMBL423613 0.80 CASP6 (0.70) NSD2CASP6G6PDNPY1RKMT2A
SCHEMBL12192928 0.79 NSD2 (0.68) NSD2CASP6G6PDNPY1RKMT2A
SCHEMBL2274037 0.79 NSD2 (1.00) NSD2CASP6G6PDMAOAMAOB
SCHEMBL2267864 0.79 G6PD (1.00) NSD2CASP6G6PDMAOAMAOB
SCHEMBL11543737 0.77 MAPT (0.47) CASP6KMT2AHSP90AA1MEN1HSP90AB1
SCHEMBL4727380 0.77 NSD2 (0.65) NSD2CASP6G6PDMAOAMAOB
SCHEMBL2273253 0.77 NSD2 (0.65) NSD2CASP6G6PDMAOAMAOB
SCHEMBL10941471 0.75 NSD2 (0.63) NSD2CASP6G6PDMAOAMAOB

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