SCHEMBL28900810

SCHEMBL28900810

O=C(Nc1ncnc2nc[nH]c12)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.62
NT5C2 P49902 2/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NT5E P21589 1/20 0.55
CREBBP Q92793 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TOP2A P11388 2/20 0.48
BRAF P15056 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL28900808 0.81 BRD4 (0.39) BRD4NT5C2LMNASMN1; SMN2HSD17B10
SCHEMBL6753015 0.78 BRD4 (0.62) BRD4NT5C2LMNAHSD17B10NT5E
SCHEMBL29514799 0.77 BRD4 (1.00) BRD4NT5C2NT5ECREBBPNPC1
SCHEMBL6463477 0.76 BRD4 (0.92) BRD4NT5C2NT5ECREBBPTOP2A
SCHEMBL8381776 0.76 BRD4 (0.97) BRD4NT5C2NT5ECREBBPNPC1
SCHEMBL3038563 0.76 NPC1 (0.76) BRD4NT5C2LMNASMN1; SMN2HSD17B10
SCHEMBL22118772 0.75 BRD4 (0.68) BRD4NT5C2SMN1; SMN2HSD17B10NT5E
SCHEMBL28478879 0.75 GDA (0.57)
SCHEMBL7778558 0.75 SMN1; SMN2 (0.64) BRD4NT5C2LMNASMN1; SMN2HSD17B10
SCHEMBL7781149 0.74 LMNA (0.63) BRD4NT5C2LMNASMN1; SMN2HSD17B10

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
CN-107074911-B Peptide nucleic acid monomers and oligomers 优基艾森斯股份公司 2020-11-03 CN claimed
CN-107074911-B Peptide nucleic acid monomers and oligomers 优基艾森斯股份公司 2020-11-03 CN disclosed