SCHEMBL9308877

SCHEMBL9308877

CCCOc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(OCCC)cc4)c2C3=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPT P10636 7/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
NSD2 O96028 1/20 0.45
LMNA P02545 1/20 0.45
P2RY2 P41231 1/20 0.45
CDC25B P30305 1/20 0.44
TP53 P04637 1/20 0.43
RAB9A P51151 2/20 0.42
EGFR P00533 1/20 0.42
PABPC1 P11940 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNA3 P22001 1/20 0.42
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL9308345 0.94 CDC25B (0.49) TSHRMAPTMAPK1TDP1L3MBTL1
SCHEMBL9308613 0.92 CDC25B (0.53) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL9309834 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL10581861 0.91 KCNA3 (0.51) MAPTMAPK1TDP1L3MBTL1KDM4E
SCHEMBL2612579 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL9308025 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL9309395 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL9309240 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL9308360 0.91 CDC25B (0.55) P2RY2CDC25BRAB9AKCNA3ADAMTS5
SCHEMBL2612581 0.90 CDC25B (0.48) TSHRMAPTMAPK1TDP1L3MBTL1

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 4 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