SCHEMBL7516081

SCHEMBL7516081

CCc1ccc(NC(=O)NC2=C(CN(C)C)C(=O)OC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 6/20 0.40
RAB9A P51151 5/20 0.40
EPHX1 P07099 2/20 0.39
EPHX2 P34913 2/20 0.39
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
ROCK2 O75116 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL7523505 0.83 RAB9A (0.46) KMT2AMAPTMEN1RAB9AEPHX1
SCHEMBL8245794 0.76 RAB9A (0.44) KMT2AMAPTMEN1RAB9AEPHX1
SCHEMBL7573500 0.75 NPC1 (0.47) KMT2AMAPTMEN1RAB9AEPHX1
SCHEMBL7518027 0.74 RAB9A (0.45) KMT2AMAPTMEN1RAB9AEPHX1
SCHEMBL7521701 0.70 EPHX2 (0.42) KMT2AMAPTMEN1RAB9AEPHX1
SCHEMBL9374987 0.69 APEX1 (0.71) KMT2AMEN1TSHR
SCHEMBL7523145 0.69 EPHX2 (0.51) KMT2AMEN1RAB9AEPHX1EPHX2
SCHEMBL29838164 0.69 APEX1 (0.71) KMT2AMEN1TSHR
SCHEMBL7521127 0.68 NPC1 (0.52) KMT2AMAPTMEN1EPHX1EPHX2
SCHEMBL7524471 0.68 EPHX2 (0.41) KMT2AMAPTMEN1RAB9AEPHX1

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-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed