SCHEMBL13656142

SCHEMBL13656142

CCC(C)C(=O)Nc1ncnc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ BRD4 O60885 10/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ BRAF P15056 1/20 0.51
▸ NT5C2 P49902 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CREBBP Q92793 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
SCHEMBL17362837 0.86 BRD4 (0.58) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL29799431 0.86 BRD4 (0.58) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL11481134 0.83 BRD4 (0.56) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL29184343 0.81 BRD4 (0.53) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL13660000 0.80 SMN1; SMN2 (0.51) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL29475418 0.78 BRAF (0.72) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL536913 0.78 BRAF (0.72) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL13660080 0.77 SMN1; SMN2 (0.50) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL9621685 0.77 SMN1; SMN2 (0.55) SMN1; SMN2BRD4NPC1RAB9ATP53
SCHEMBL22118772 0.76 BRD4 (0.68) SMN1; SMN2BRD4NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
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