SCHEMBL9308613

SCHEMBL9308613

CCCCCOc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(OCCCCC)cc4)c2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
UNG P13051 2/20 0.48
KCNA3 P22001 1/20 0.46
ADAMTS5 Q9UNA0 2/20 0.45
PTPN1 P18031 1/20 0.45
FAAH O00519 7/20 0.44
P2RY2 P41231 1/20 0.43
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9308025 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9309395 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL2612579 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9309834 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9308360 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9309240 0.99 CDC25B (0.55) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9308345 0.97 CDC25B (0.49) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL10581861 0.94 KCNA3 (0.51) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL2612581 0.93 CDC25B (0.48) CDC25BNPC1RAB9AUNGKCNA3
SCHEMBL9308877 0.92 TSHR (0.45) CDC25BNPC1RAB9AUNGKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332521-A Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN CO., LTD. (JP) 1994-07-26 US disclosed
EP-0352637-B1 Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN CO (JP) 1994-03-30 EP disclosed
US-5200108-A Flexible substrates supporting layer of liquid crystal material and non-liquid crystalline polymer IDEMITSU KOSAN CO., LTD. (JP) 1993-04-06 US disclosed
EP-0352637-A2 Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-01-31 EP disclosed
EP-0002104-B1 PLEOCHROIC DYES SUITABLE FOR USE IN SOLUTION WITH LIQUID CRYSTAL MATERIALS FOR ELECTRO-OPTIC DEVICE APPLICATIONS BDH Chemicals Limited (GB) 1982-10-20 EP disclosed
EP-0002104-A1 Pleochroic dyes suitable for use in solution with liquid crystal materials for electro-optic device applications BDH Chemicals Limited (GB) 1979-05-30 EP disclosed