SCHEMBL8516277

SCHEMBL8516277

NCCCN1CCNCC1.NCCN1CCN(CCN)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
CXCR4 P61073 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
SIGMAR1 Q99720 4/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 1/20 0.42
ACE2 Q9BYF1 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
SCHEMBL20474789 1.00 ALOX15 (0.56) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL9118234 0.96 CXCR4 (0.54) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL15065903 0.93 CXCR4 (0.57) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL234400 0.93 CXCR4 (0.56) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL6961878 0.93 CXCR4 (0.56) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL5509616 0.91 CXCR4 (0.59) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
Hydrochloric Acid SCHEMBL8498878 0.91 CXCR4 (0.54) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
Hydrochloric Acid SCHEMBL3675303 0.91 CXCR4 (0.54) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
Piperazine SCHEMBL28183509 0.91 CXCR4 (0.59) ALOX15CXCR4SMN1; SMN2KEAP1SIGMAR1
SCHEMBL7525959 0.91 ALOX15 (0.68) ALOX15CXCR4SMN1; SMN2SIGMAR1POLB

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-20120282160-A1 CARBON DIOXIDE AND HYDROGEN SULFIDE ABSORBENTS AND PROCESS FOR THEIR USE CANSOLV TECHNOLOGIES INC. (CA) 2012-11-08 US disclosed
EP-2456543-A1 CARBON DIOXIDE AND HYDROGEN SULFIDE ABSORBENTS AND PROCESS FOR THEIR USE Cansolv Technologies Inc. (CA) 2012-05-30 EP disclosed