SCHEMBL16201846

SCHEMBL16201846

COc1cccc(C(=O)Nc2ncnc(NC(=O)c3cccc(C)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.67
KCNK9 Q9NPC2 2/20 0.67
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GRM5 P41594 1/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
BRD4 O60885 1/20 0.56
SCD O00767 1/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL16200757 0.89 GRM5 (0.60) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL821761 0.89 KCNK3 (0.68) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL2632356 0.83 GRM5 (0.65) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL15308189 0.82 GRM5 (0.65) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL15305755 0.82 GRM5 (0.65) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL4285475 0.81 KMT2A (0.67) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL28861389 0.80 MEN1 (0.62) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL3163334 0.79 KCNK3 (0.64) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL13838763 0.79 KCNK3 (0.92) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL4249753 0.79 KCNK3 (0.92) KCNK3KCNK9NPC1RAB9ASMN1; SMN2

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
US-9151883-B2 Cellulose acylate film, retardation film, polarizer and liquid-crystal display device FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-20140318413-A1 CELLULOSE ACYLATE FILM, RETARDATION FILM, POLARIZER AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-10-30 US disclosed