SCHEMBL6672933

SCHEMBL6672933

c1cc([N]CCN2CCCCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HRH3 Q9Y5N1 8/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD2 P14416 1/20 0.44
LTA4H P09960 3/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CHKA P35790 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
TERT O14746 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
SCHEMBL6647197 0.90 CYP1A2 (0.53) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL6646639 0.88 HRH3 (0.51) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL6671574 0.83 CYP3A4 (0.49) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL6649246 0.73 CYP3A4 (0.54) CYP1A2CYP3A4HRH3LMNAALDH1A1
SCHEMBL3994665 0.72 CYP1A2 (1.00) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL3993201 0.69 HRH3 (1.00) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL6672936 0.68 CYP1A2 (0.56) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL18837471 0.68 LTA4H (0.84) HRH3LTA4H
SCHEMBL13442 0.67 HRH3 (0.71) CYP1A2CYP3A4HRH3TDP1L3MBTL1
SCHEMBL10525513 0.67 HRH3 (0.71) CYP1A2CYP3A4HRH3TDP1L3MBTL1

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-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed