SCHEMBL8038969

SCHEMBL8038969

O=C(Nc1ccn(C2C(=O)N(O)C2CO)c(=O)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.59
RIN1 Q13671 1/20 0.59
POLB P06746 1/20 0.56
P2RY6 Q15077 2/20 0.48
P2RY14 Q15391 2/20 0.48
NT5E P21589 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.37
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 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
SCHEMBL8038972 0.81 ABL1 (0.43) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL25380986 0.79 ABL1 (0.66) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL25380991 0.79 ABL1 (0.66) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL8045409 0.77 ABL1 (0.46) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL18852530 0.75 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL14853856 0.75 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL3782352 0.75 ABL1 (0.63) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL565905 0.75 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL16805383 0.75 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL565904 0.75 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14

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
US-6084082-A SOLID PHASE SYNTHESIS BY ATTACHING BETA-LACTAM HAVING NUCLEOBASE TO SOLID SUPPORT, DEPROTECTING HYDROXY GROUP, REACTING FREE HYDROXYL GROUP WITH BETA-LACTAMTIDE HAVING ACTIVATED PHOSPHITE GROUP, AND OXIDIZING ISIS PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
US-5866691-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1999-02-02 US disclosed
US-5554746-A Lactam nucleic acids ISIS PHARMACEUTICALS, INC. (US) 1996-09-10 US disclosed