SCHEMBL6960804

SCHEMBL6960804

Nc1ccc2c(c1)N(C(=O)CCCl)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
BRD4 O60885 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NOTUM Q6P988 4/20 0.47
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL8127939 0.86 MAPT (0.54) TSHRBRD4ATAD2MAPTMEN1
SCHEMBL8613724 0.86 MAPT (0.54) TSHRBRD4ATAD2MAPTMEN1
SCHEMBL6966671 0.84 NOTUM (0.64) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL6961783 0.83 DRD2 (0.58) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL6960678 0.83 DRD2 (0.58) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL27559025 0.82 BRD4 (0.55) TSHRBRD4ATAD2MAPTMEN1
SCHEMBL27447403 0.80 TSHR (0.48) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL6962584 0.80 BIRC2 (0.57) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL4637311 0.79 TSHR (0.81) TSHRMAPTMEN1KMT2ANOTUM
SCHEMBL21712183 0.79 ALDH1A1 (0.49) TSHRBRD4ATAD2MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
CN-1059904-C Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2000-12-27 CN disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
CN-1172809-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 1998-02-11 CN disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed