SCHEMBL6940160

SCHEMBL6940160

O=C=Nc1ccc(Oc2ccc(Oc3ccc(N=C=O)cc3)c(Cc3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.39
SRD5A2 P31213 1/20 0.35
SLC6A4 P31645 3/20 0.35
HTR2A P28223 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FDFT1 P37268 2/20 0.34
PLA2G7 Q13093 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 1/20 0.34
SLC6A2 P23975 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6936469 0.88 CYP3A4 (0.37) CYP3A4TSHRKDM4EALDH1A1MEN1
Diphenylmethane SCHEMBL2583973 0.84 CYP3A4 (0.63) CYP3A4TSHRCYP1A2SRD5A2IDH1
SCHEMBL6941382 0.79 KDM4E (0.40) CYP3A4KDM4EALDH1A1MEN1KMT2A
SCHEMBL6941385 0.79 KDM4E (0.40) CYP3A4KDM4EALDH1A1MEN1KMT2A
SCHEMBL6938764 0.78 POLB (0.50) CYP1A2SRD5A2KDM4EALDH1A1HTT
SCHEMBL6940624 0.77 NCOA1 (0.42) CYP3A4TSHRALDH1A1
SCHEMBL6009600 0.76 CYP3A4 (0.77) CYP3A4TSHRCYP1A2SRD5A2IDH1
SCHEMBL242048 0.76 LTA4H (0.50) CYP3A4TSHRSRD5A2
SCHEMBL7136291 0.73 FURIN (0.53) CYP3A4TSHRCYP1A2ALDH1A1MEN1
Diphenylmethane SCHEMBL4537622 0.73 CYP3A4 (0.83) CYP3A4TSHRCYP1A2IDH1PPARG

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