SCHEMBL6963144

SCHEMBL6963144

CCOc1cccc(-c2[c]cccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 3/20 0.46
CYP3A4 P08684 1/20 0.46
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44
NOTUM Q6P988 1/20 0.44
FGFR1 P11362 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAP4K4 O95819 1/20 0.42
S1PR1 P21453 2/20 0.41
LTA4H P09960 1/20 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
SCHEMBL3729005 0.88 KDM4E (0.47) MAPTKDM4EGAATP53SMN1; SMN2
SCHEMBL4218764 0.84 CYP1A2 (0.35) MAPTKDM4EGAARXRARXRB
SCHEMBL533385 0.81 DYRK1A (0.47) MAPTGAATDP1TP53CYP3A4
SCHEMBL3735038 0.81 NQO1 (0.50) MAPTKDM4EGAATDP1TP53
SCHEMBL8074390 0.81 MAOB (0.51)
SCHEMBL6883783 0.80 SIRT1 (0.40) MAPTKDM4EGAAFGFR1SMN1; SMN2
SCHEMBL3197832 0.80 KDM4E (0.43) MAPTKDM4EGAARXRARXRB
SCHEMBL18239968 0.80 MAPT (0.43) MAPTKDM4EGAARXRARXRB
SCHEMBL6136820 0.80 DYRK1A (0.44) MAPTKDM4EGAARXRARXRB
SCHEMBL29426410 0.78 RXRA (0.66) MAPTKDM4EGAARXRARXRB

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
CN-104140441-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
CN-104140442-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
CN-104140448-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 CN disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed