SCHEMBL13752158

SCHEMBL13752158

CCCCCCCCCCCCCCCCCCOc1ccc(Nc2nc(Nc3ccc(OCCCCCCCCCCCCCCCCCC)cc3)nc(Nc3ccc(OCCCCCCCCCCCCCCCCCC)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.54
KDM4E B2RXH2 2/20 0.54
NFKB1 P19838 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
UNG P13051 2/20 0.53
KCNH3 Q9ULD8 2/20 0.50
CDC25B P30305 1/20 0.49
FAAH O00519 6/20 0.49
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
LTA4H P09960 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 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
SCHEMBL13752157 1.00 NR5A1 (0.54) NR5A1KDM4ENFKB1NPC1RAB9A
SCHEMBL10299742 0.94 MAPT (0.53) NR5A1KDM4ENFKB1NPC1RAB9A
SCHEMBL5390277 0.91 KCNH3 (0.65) NR5A1KDM4ENFKB1NPC1RAB9A
SCHEMBL14441535 0.89 TSHR (0.50) UNGKCNH3FAAHTSHRLTA4H
SCHEMBL14589635 0.89 TSHR (0.50) UNGKCNH3FAAHTSHRLTA4H
SCHEMBL8962079 0.88 NR5A1 (0.63) NR5A1NPC1RAB9AUNGFAAH
SCHEMBL11470886 0.88 NR5A1 (0.63) NR5A1NPC1RAB9AUNGFAAH
SCHEMBL1128464 0.88 NR5A1 (0.63) NR5A1NPC1RAB9AUNGFAAH
SCHEMBL8324472 0.86 NPC1 (0.64) NR5A1NPC1RAB9AUNGFAAH
SCHEMBL14593736 0.85 KCNH3 (0.60) KDM4ENFKB1KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576036-B2 Heat-sensitive recording material, heat-sensitive recording method and method for manufacturing heat-sensitive recording material FUJIFILM CORPORATION (JP) 2009-08-18 US disclosed
US-20070032381-A1 Heat-sensitive recording material, heat-sensitive recording method and method for manufacturing heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2007-02-08 US disclosed
US-20070004594-A1 Heat-sensitive recording material and heat-sensitive recording method FUJI PHOTO FILM CO., LTD. 2007-01-04 US disclosed