SCHEMBL13380210

SCHEMBL13380210

O=C(NCCCN1CCOCC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TSHR P16473 1/20 0.62
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 1/20 0.61
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
NAMPT P43490 1/20 0.59
LMNA P02545 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
MAPK14 Q16539 1/20 0.57
GAA P10253 2/20 0.57

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
SCHEMBL13380128 0.95 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4ETSHRCYP2D6
SCHEMBL13380159 0.93 CYP2C19 (0.69) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5010675 0.83 HTT (0.72) SMN1; SMN2ALDH1A1KDM4ETSHRCYP2D6
SCHEMBL1382764 0.81 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL5010632 0.81 CACNA1G (0.72) SMN1; SMN2ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL5013746 0.80 HTT (0.59) SMN1; SMN2ALDH1A1KDM4ETSHRCYP2D6
SCHEMBL8150783 0.80 CD274 (0.85) SMN1; SMN2ALDH1A1KDM4ETSHRNAMPT
Hydrochloric Acid SCHEMBL5010944 0.79 CACNA1G (0.74) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5010940 0.79 CACNA1G (0.74) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5013756 0.79 CACNA1G (0.74) SMN1; SMN2ALDH1A1

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
EP-2177902-A1 Method and system for multi-stage isoelectric focussing Picosep A/S (DK) 2010-04-21 EP disclosed