SCHEMBL13660000

SCHEMBL13660000

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BRD4 O60885 10/20 0.45
▸ HTT P42858 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NT5C2 P49902 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL13660080 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL13656142 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL17362837 0.77 BRD4 (0.58) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL11481134 0.75 BRD4 (0.56) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL8718918 0.71 BRD4 (0.57) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL536913 0.70 BRAF (0.72) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL23748507 0.69 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL17372559 0.69 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL9621685 0.69 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATP53HSD17B10
SCHEMBL22118772 0.68 BRD4 (0.68) SMN1; SMN2NPC1RAB9ATP53HSD17B10

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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