SCHEMBL20586643

SCHEMBL20586643

C=Cc1cccnc1CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.40
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
POLB P06746 1/20 0.33
CYP2C19 P33261 4/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP2A6 P11509 2/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL20585769 0.83 CXCR4 (0.43) CXCR4HSD17B10CHRNB2CHRNA4POLB
SCHEMBL4954295 0.79 ALDH1A1 (0.35) CXCR4HSD17B10ALDH1A1L3MBTL1TRIM24
Bromide SCHEMBL28262419 0.78 ALDH1A1 (0.34) CXCR4HSD17B10ALDH1A1L3MBTL1TRIM24
SCHEMBL10817580 0.76 ALDH1A1 (0.39) CXCR4HSD17B10ALDH1A1L3MBTL1TRIM24
SCHEMBL29108311 0.76 ALDH1A1 (0.53) CXCR4HSD17B10CYP2C19ALDH1A1L3MBTL1
SCHEMBL19316344 0.75 PDE3B (0.36) CXCR4HSD17B10ALDH1A1L3MBTL1TRIM24
Bromide SCHEMBL9508766 0.74 CXCR4 (0.39) CXCR4HSD17B10ALDH1A1L3MBTL1TRIM24
SCHEMBL2903484 0.74 L3MBTL1 (0.39) CXCR4CYP2C19CYP2D6ALDH1A1L3MBTL1
SCHEMBL12092424 0.73 CXCR4 (0.43) CXCR4HSD17B10CHRNB2CHRNA4KDM4A
SCHEMBL17221090 0.73 ALDH1A1 (0.41) CXCR4HSD17B10CYP2C19ALDH1A1L3MBTL1

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
US-10741812-B2 Acid-scavenging functional separators for power performance of lithium ion electrochemical cells GM Global Technology Operations LLC (US) 2020-08-11 US disclosed
US-20180366781-A1 ACID-SCAVENGING FUNCTIONAL SEPARATORS FOR POWER PERFORMANCE OF LITHIUM ION ELECTROCHEMICAL CELLS GM Global Technology Operations LLC 2018-12-20 US disclosed