SCHEMBL4777663

SCHEMBL4777663

O=C(c1cccc(O)c1)C1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.47
SLC6A1 P30531 2/20 0.45
SLC6A11 P48066 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 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
SCHEMBL3963692 0.84 KDM2B (0.55) MGLLLMNAKMT2A
SCHEMBL4752711 0.84 ALDH1A1 (0.50) MGLLSLC6A1SLC6A11TSHRLMNA
SCHEMBL3957507 0.84 CDK5 (0.47) MGLLSLC6A1SLC6A11TSHRLMNA
SCHEMBL12023170 0.84 CDK5 (0.47) MGLLSLC6A1SLC6A11TSHRLMNA
SCHEMBL8240374 0.84 KDM2B (0.55) MGLLLMNAKMT2A
Hydrochloric Acid SCHEMBL5476506 0.83 CDK5 (0.47) MGLLSLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL5476502 0.83 CDK5 (0.47) MGLLSLC6A1SLC6A11TSHRLMNA
SCHEMBL638646 0.83 SLC6A1 (0.56) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4772361 0.82 KDM2B (0.54) MGLLLMNAKMT2APOLB
Hydrochloric Acid SCHEMBL4028302 0.81 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed