SCHEMBL20246768

SCHEMBL20246768

Fc1c(Cl)cccc1CNC1=NCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 4/20 0.39
CD38 P28907 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL560745 0.76 LMNA (0.55) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL5477 0.75 ADRA2A (0.71) KMT2AADRA2AADRA2BADRA2CLMNA
SCHEMBL1178134 0.73 MAPT (0.48) KMT2AALDH1A1MEN1HSD17B10MAPT
SCHEMBL1179567 0.73 CFB (0.39) ADRA2AADRA2BADRA2CP2RX7CD38
SCHEMBL14381010 0.72 ALDH1A1 (0.51) KMT2AALDH1A1MEN1ADRA2AADRA2B
SCHEMBL11182854 0.72 KMT2A (0.45) KMT2AALDH1A1MEN1ADRA2AADRA2B
SCHEMBL11166542 0.71 ALDH1A1 (0.52) KMT2AALDH1A1MEN1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11177608 0.70 ALDH1A1 (0.51) KMT2AALDH1A1MEN1ADRA2AADRA2B
SCHEMBL5586 0.68 ADRA2A (0.67) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL13886573 0.68 SLC6A2 (0.47) ALDH1A1HTTP2RX7CD38

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-3332782-A1 METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2018-06-13 EP disclosed