SCHEMBL6780101

SCHEMBL6780101

Cn1c(C(=O)O)nc(NC(=O)OC(C)(C)C)c1-n1nnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
APAF1 O14727 2/20 0.37
TDP2 O95551 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6774672 0.73 BRD9 (0.38) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL25261543 0.68 BRD4 (0.47) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL7184525 0.68 KDM4E (0.35) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL14500160 0.68 CYP4Z1 (0.44) BRD4NPC1RAB9AKMT2AMEN1
SCHEMBL6777572 0.67 SIRT2 (0.46) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL27402198 0.67 BRD4 (0.53) BRD4NPC1RAB9AKMT2AMEN1
SCHEMBL25858482 0.67 BRD4 (0.48) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL8861190 0.66 OPRM1 (0.58) BRD4OPRM1OPRD1OGFRL1NPC1
SCHEMBL29964193 0.65 BCHE (0.49) BRD4NPC1RAB9AKMT2AMEN1
SCHEMBL18803150 0.65 BCHE (0.49) BRD4NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683189-B1 POLYAMIDE-OLIGONUCLEOTIDE CONJUGATES; NETROPSIN AND DISTAMYCIN A SYNTHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-01-27 US disclosed
US-6545162-B1 Solid phase biosynthesis of viricide antibiotic CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-04-08 US disclosed
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP disclosed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 US disclosed