SCHEMBL6936469

SCHEMBL6936469

O=C=Nc1ccc(Oc2ccc(Oc3ccc(N=C=O)cc3)c(CCc3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CAMK2A Q9UQM7 1/20 0.35
PLA2G4A P47712 1/20 0.34
P2RY6 Q15077 1/20 0.34
F2 P00734 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6940160 0.88 CYP3A4 (0.45) CYP3A4TSHRKDM4EMEN1ALDH1A1
SCHEMBL6941382 0.78 KDM4E (0.40) CYP3A4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6941385 0.78 KDM4E (0.40) CYP3A4KDM4EMEN1ALDH1A1KMT2A
Diphenylmethane SCHEMBL2583973 0.77 CYP3A4 (0.63) CYP3A4TSHRFFAR1
SCHEMBL6940624 0.76 NCOA1 (0.42) CYP3A4TSHRFFAR1FFAR4ALDH1A1
SCHEMBL4600058 0.75 CYP3A4 (0.63) CYP3A4TSHRFFAR1P2RY6ALDH1A1
SCHEMBL242048 0.75 LTA4H (0.50) CYP3A4TSHR
SCHEMBL6938764 0.74 POLB (0.50) POLBKDM4EALDH1A1
SCHEMBL10441239 0.73 CYP3A4 (0.55) CYP3A4TSHRFFAR1FFAR4P2RY6
SCHEMBL7136291 0.72 FURIN (0.53) CYP3A4TSHRF2MEN1ALDH1A1

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
EP-0995739-B9 Aromatic polycarbodiimide and polycarbodiimide sheet NITTO DENKO CORP (JP) 2003-03-19 EP disclosed
EP-0995739-B1 Aromatic polycarbodiimide and polycarbodiimide sheet NITTO DENKO CORP (JP) 2002-12-04 EP disclosed
US-6248857-B1 LOW MOISTURE RESISTANCE, HEAT RESISTANCE AND A LOW DIELECTRIC CONSTANT NITTO DENKO CORPORATION (JP) 2001-06-19 US disclosed
EP-0995739-A1 Aromatic polycarbodiimide and polycarbodiimide sheet NITTO DENKO CORPORATION (JP) 2000-04-26 EP disclosed