SCHEMBL6926709

SCHEMBL6926709

Cc1cccc2c3c([nH]c12)CCCC3=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.68
BRD4 O60885 5/20 0.46
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.42
RPA1 P27694 1/20 0.42
MCL1 Q07820 1/20 0.42
AHR P35869 1/20 0.42
PTK2 Q05397 1/20 0.42
KIF11 P52732 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL5830904 0.81 DYRK1A (0.68) DYRK1ABRD4KDM4EHSD17B10MEN1
SCHEMBL6921110 0.81 DYRK1A (1.00) DYRK1ABRD4KDM4EHSD17B10MEN1
SCHEMBL14115028 0.78 GFER (0.55) KDM4EHSD17B10AHRKIF11MAPT
SCHEMBL15189299 0.78 DYRK1A (0.49) DYRK1ABRD4KDM4EHSD17B10PTK2
SCHEMBL6695622 0.78 GFER (0.63) DYRK1AKDM4EHSD17B10PTK2MEN1
SCHEMBL7294516 0.77 CDC7 (0.52) DYRK1AKDM4ERPA1MCL1AHR
SCHEMBL1657531 0.76 DYRK1A (0.58) DYRK1AKDM4EHSD17B10PTK2MEN1
SCHEMBL23537356 0.73 PARP1 (0.59) DYRK1ABRD4KDM4EHSD17B10PTK2
SCHEMBL29824193 0.73 PARP1 (0.59) DYRK1ABRD4KDM4EHSD17B10PTK2
SCHEMBL31027151 0.73 DYRK1A (0.58) DYRK1AKDM4EHSD17B10MEN1KMT2A

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
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed