SCHEMBL16440657

SCHEMBL16440657

O=P(c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(-c4ccc5oc6cnccc6c5c4)cc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.36
LIMK1 P53667 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL16440643 0.92 ROCK2 (0.40) ROCK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16440690 0.88 PLA2G2A (0.41) LIMK1KDM4EALDH1A1HPGDNPC1
SCHEMBL16440649 0.88 PLA2G2A (0.41) LIMK1KDM4EALDH1A1HPGDNPC1
SCHEMBL16440648 0.88 PLA2G2A (0.40) LIMK1KDM4EMAPTRAB9APLA2G2A
SCHEMBL16440647 0.88 PLA2G2A (0.40) LIMK1KDM4EMAPTRAB9APLA2G2A
SCHEMBL16440708 0.87 LIMK1 (0.34) LIMK1PLA2G2APLA2G4APIK3CDPIK3R1
SCHEMBL16440691 0.87 ROCK2 (0.39) ROCK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16440644 0.85 PLA2G2A (0.39) LIMK1KDM4EMAPTRAB9APLA2G2A
SCHEMBL16440659 0.84 LIMK1 (0.34) LIMK1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL16440674 0.84 PLA2G2A (0.37) KDM4EALDH1A1HPGDHSD17B10NPC1

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-20150034927-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-02-05 US disclosed
US-20150034927-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-02-05 US disclosed