SCHEMBL8045409

SCHEMBL8045409

O=C(Nc1ccn(C2C(=O)N(OCc3ccccc3)C2COCc2ccccc2)c(=O)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
P2RY6 Q15077 8/20 0.45
P2RY14 Q15391 2/20 0.45
NT5E P21589 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RY2 P41231 4/20 0.37
P2RY4 P51582 4/20 0.37
PTGER1 P34995 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.35
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL8038432 0.78 TAS1R3 (0.39) NT5EPOLBMEN1KMT2ANPC1
SCHEMBL8038969 0.77 ABL1 (0.59) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL8041901 0.76 P2RY12 (0.41) P2RY6NT5EP2RY2
SCHEMBL14429053 0.73 P2RY6 (0.57) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL2527032 0.73 P2RY6 (0.45) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14429200 0.72 POLB (0.47) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14429054 0.71 P2RY6 (0.52) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14429240 0.71 POLB (0.63) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14429064 0.71 POLB (0.63) ABL1RIN1P2RY6P2RY14NT5E
SCHEMBL14429247 0.71 POLB (0.63) ABL1RIN1P2RY6P2RY14NT5E

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