SCHEMBL5553647

SCHEMBL5553647

CN1CCOCC1.COc1nc(Cl)nc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EGFR P00533 1/20 0.40
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.36
RAB9A P51151 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL22098675 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MAPK1MAPTL3MBTL1KMT2A
SCHEMBL3514312 0.79 CYP2C19 (0.45) SMN1; SMN2MAPK1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL465013 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1MAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL1272128 0.77 CYP2C19 (0.44) SMN1; SMN2MAPK1MAPTKMT2AALDH1A1
SCHEMBL8795 0.76 CYP1A2 (0.52) SMN1; SMN2MAPTL3MBTL1KMT2AALDH1A1
SCHEMBL8277453 0.72 MAPK1 (0.73) SMN1; SMN2MAPK1MAPTL3MBTL1KMT2A
SCHEMBL329417 0.71 CYP1A2 (0.52) SMN1; SMN2MAPTKMT2AALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28325798 0.71 CA12 (0.43) SMN1; SMN2L3MBTL1ALDH1A1TSHRHRH4
Ammonia Solution, Strong SCHEMBL285726 0.71
Hydrochloric Acid SCHEMBL3750188 0.70 MAPK1 (0.71) SMN1; SMN2MAPK1MAPTL3MBTL1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020218497-A1 METHOD FOR PRODUCING PEPTIDE CONTINUOUSLY 味の素株式会社 2020-10-29 WO disclosed
EP-1797041-A2 PROCESS FOR PREPARING BICYCLIC PYRAZOLYL COMPOUNDS Pfizer Products Inc. (US) 2007-06-20 EP disclosed
WO-2006035310-A2 PROCESS FOR PREPARING BICYCLIC PYRAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-04-06 WO disclosed