SCHEMBL21994935

SCHEMBL21994935

CCCCOC(=O)N1Cc2cn[nH]c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 3/20 0.41
NR1H2 P55055 1/20 0.40
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 1/20 0.36
MAPT P10636 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL31098407 0.89 LMNA (0.43) LMNAPOLBSMN1; SMN2NAMPTNR1H2
SCHEMBL29689830 0.89 LMNA (0.43) LMNAPOLBSMN1; SMN2NAMPTNR1H2
SCHEMBL31549307 0.81 POLB (0.49) LMNAPOLBSMN1; SMN2NR1H2HRH2
SCHEMBL2265266 0.80 NR1H2 (0.65) LMNAPOLBSMN1; SMN2NAMPTNR1H2
SCHEMBL19722672 0.76 NAMPT (0.41) NAMPTNR1H2PSEN1PSEN2APH1B
SCHEMBL29627948 0.74 LMNA (0.43) LMNAPOLBSMN1; SMN2NAMPTNR1H2
SCHEMBL30939083 0.73 SMN1; SMN2 (0.42) LMNAPOLBSMN1; SMN2NAMPTHRH2
SCHEMBL21995408 0.73 LMNA (0.42) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL1396142 0.72 LMNA (0.56) LMNAPOLBSMN1; SMN2NR1H2HRH2
SCHEMBL29627986 0.72 P2RY12 (0.42) LMNAPOLBSMN1; SMN2HRH2HRH1

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
EP-3887371-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 WO disclosed