SCHEMBL17359308

SCHEMBL17359308

CNCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 6/20 0.67
▸ KDM2A Q9Y2K7 6/20 0.67
▸ MEN1 O00255 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ HBB P68871 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ BRCA1 P38398 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CHKA P35790 2/20 0.49
▸ RELA Q04206 1/20 0.46

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
SCHEMBL13043665 0.91 KDM4A (0.61) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL13645407 0.87 KDM4A (0.84) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL14984138 0.87 KDM4A (0.79) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL12533259 0.85 KDM4A (0.88) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL14984144 0.84 KDM4A (0.73) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL10103995 0.83 KDM4A (0.88) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL13924724 0.81 KDM4A (0.97) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL23425337 0.81 KDM4A (0.58) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL18989408 0.80 KDM4A (1.00) KDM4AKDM2AMEN1MAPTKMT2A
SCHEMBL10846148 0.80 KDM4A (1.00) KDM4AKDM2AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150369738-A1 RED FLUORESCENT ALDEHYDE DEHYDROGENASE (ALDH) SUBSTRATE THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-24 — — US disclosed
Send feedback