SCHEMBL28669706

SCHEMBL28669706

NNC(=O)Nc1ncnc2nc[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
BRD4 O60885 9/20 0.59
NT5C2 P49902 2/20 0.54
BRAF P15056 2/20 0.53
MKNK1 Q9BUB5 1/20 0.53
NT5E P21589 1/20 0.52
CYP3A4 P08684 1/20 0.51
TOP2A P11388 1/20 0.51
CREBBP Q92793 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
HIF1A Q16665 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5437612 0.84 BRD4 (0.62) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL22118772 0.82 BRD4 (0.68) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL29638098 0.81 NPC1 (0.56) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL17372610 0.81 NPC1 (0.56) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL536913 0.81 BRAF (0.72) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL29475418 0.81 BRAF (0.72) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL38663949 0.80 BRD4 (0.58) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL11679062 0.80 BRD4 (0.58) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL3038563 0.80 NPC1 (0.76) NPC1RAB9ABRD4NT5C2BRAF
SCHEMBL28828155 0.78 BRD4 (0.59) NPC1RAB9ABRD4NT5C2BRAF

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-113875475-A Asexual propagation method of wild corylus heterophylla bunge fruit tree 延边朝鲜族自治州农业科学院(延边特产研究所) 2022-01-04 CN disclosed
CN-113854027-A Asexual propagation method of wild hazel and hazel fruit trees 延边朝鲜族自治州农业科学院(延边特产研究所) 2021-12-31 CN disclosed