SCHEMBL6682201

SCHEMBL6682201

CCc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.64
SMN1; SMN2 Q16637 9/20 0.64
ALDH1A1 P00352 8/20 0.64
L3MBTL1 Q9Y468 5/20 0.64
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
CYP3A4 P08684 3/20 0.64
TSHR P16473 2/20 0.64
CASP3 P42574 1/20 0.64
HBB P68871 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
MAOA P21397 3/20 0.62
MAOB P27338 1/20 0.62
MAPT P10636 8/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
POLB P06746 3/20 0.59

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
SCHEMBL27593593 0.88 MAPK1 (0.58) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL28056451 0.84 ELANE (0.58) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL3111027 0.84 MEN1 (0.62) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL11240143 0.83 MAPK1 (0.57) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL27631765 0.83 ELANE (0.59) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL14353222 0.83 MAOA (0.59) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL3991531 0.83 MAOA (0.59) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL27486561 0.81 ELANE (0.68) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL16145028 0.81 ALDH1A1 (0.58) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A
SCHEMBL11510404 0.81 MAPK1 (0.53) MAPK1SMN1; SMN2ALDH1A1L3MBTL1RAB9A

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
WO-2004060061-A1 NOVEL SELECTIVE ALGAECIDES FOR CONTROL OF CYANOCHLORONTA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2004-07-22 WO disclosed
EP-0132757-B1 PROCESS FOR THE PREPARATION OF OXAMIDES BAYER AG (DE) 1986-09-24 EP disclosed
EP-0132757-A1 Process for the preparation of oxamides BAYER AG (DE) 1985-02-13 EP disclosed