SCHEMBL7710694

SCHEMBL7710694

Cl/C=C/CN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR4 P61073 8/20 0.34
MEN1 O00255 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2C P18825 1/20 0.34
CCR2 P41597 1/20 0.34
CXCL12 P48061 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5694548 1.00 SIGMAR1 (0.38) SIGMAR1POLBSMN1; SMN2CXCR4MEN1
SCHEMBL7708108 1.00 SIGMAR1 (0.38) SIGMAR1POLBSMN1; SMN2CXCR4MEN1
SCHEMBL7708139 0.86
SCHEMBL7708147 0.86
SCHEMBL7707623 0.77
SCHEMBL7707620 0.77
SCHEMBL7708132 0.77
SCHEMBL175418 0.76 POLB (0.35) SIGMAR1POLBSMN1; SMN2CXCR4MEN1
SCHEMBL7710736 0.76 SMN1; SMN2 (0.35) SIGMAR1POLBSMN1; SMN2CXCR4MEN1
SCHEMBL1481327 0.76 POLB (0.35) SIGMAR1POLBSMN1; SMN2CXCR4MEN1

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-6359174-B1 REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-03-19 US disclosed