SCHEMBL8038972

SCHEMBL8038972

COc1ccc(C(OCC2C(n3ccc(NC(=O)c4ccccc4)nc3=O)C(=O)N2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
ADORA3 P0DMS8 5/20 0.42
P2RY6 Q15077 2/20 0.41
P2RY14 Q15391 2/20 0.41
NT5E P21589 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
TYMP P19971 1/20 0.38
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDKN1A P38936 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
TMIGD3 P0DMS9 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
SCHEMBL1054333 0.81 P2RY6 (0.44) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL8038969 0.81 ABL1 (0.59) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL23056605 0.80 ABL1 (0.65) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL8038983 0.80 TYMP (0.47) ADORA3POLBNPC1RAB9ATYMP
SCHEMBL1055228 0.80 P2RY6 (0.43) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL4338084 0.80 P2RY6 (0.43) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL23140727 0.80 ABL1 (0.51) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL23157266 0.79 POLB (0.56) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL23056641 0.79 POLB (0.56) ABL1RIN1ADORA3P2RY6P2RY14
SCHEMBL5358852 0.79 POLB (0.56) ABL1RIN1ADORA3P2RY6P2RY14

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