SCHEMBL13656136

SCHEMBL13656136

CCC(C)c1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GLA P06280 3/20 0.51
POLB P06746 3/20 0.51
GAA P10253 6/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 2/20 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
SCHEMBL825718 0.79 NPC1 (0.63) GAAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL846540 0.77 NPC1 (0.70) KDM4EALDH1A1RAB9ANPC1MITF
SCHEMBL13125299 0.77 NPC1 (0.70) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL2564961 0.76 NPC1 (0.71) KDM4EPOLBGAAMAPTSMN1; SMN2
SCHEMBL22535186 0.74 NPC1 (0.68) POLBGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL14030932 0.73 POLB (0.62) KDM4EPOLBGAAMAPTSMN1; SMN2
SCHEMBL14030924 0.73 NPC1 (0.57) GAAMAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13656153 0.73 GAA (0.52) KDM4EGLAPOLBGAAMAPT
SCHEMBL12630752 0.72 ALDH1A1 (0.43) GAAMAPTMAPK1MCL1SMN1; SMN2
SCHEMBL13656129 0.71 HDAC6 (0.71) SMN1; SMN2ALDH1A1RAB9ANPSR1NPC1

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