SCHEMBL6938764

SCHEMBL6938764

O=C=Nc1ccc(Oc2ccc(Oc3ccc(N=C=O)cc3)c(C(=O)c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
BCL2 P10415 3/20 0.41
MCL1 Q07820 3/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 3/20 0.40
SRD5A2 P31213 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AKR1C3 P42330 1/20 0.40
BAD Q92934 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A2 P23975 1/20 0.38

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 0.78 CYP3A4 (0.45) HTTSRD5A2KDM4EALDH1A1CYP1A2
SCHEMBL22966330 0.77 SRD5A2 (0.50) POLBMAPTHTTSRD5A2ALDH1A1
SCHEMBL22966429 0.77 SRD5A2 (0.50) POLBMAPTHTTSRD5A2ALDH1A1
SCHEMBL22966339 0.76 POLB (0.44) POLBBCL2MCL1HTTSRD5A2
SCHEMBL6940624 0.76 NCOA1 (0.42) ALDH1A1HPGDHDAC8
SCHEMBL242048 0.75 LTA4H (0.50) SRD5A2
SCHEMBL6936469 0.74 CYP3A4 (0.37) POLBKDM4EALDH1A1
SCHEMBL17414463 0.74 POLB (0.40) POLBKDM4EAKR1C3PGRHDAC8
SCHEMBL145056 0.74 ALDH1A1 (0.56) POLBMAPTHTTSRD5A2ALDH1A1
SCHEMBL11437168 0.73 PARP10 (0.55) POLBMAPTSRD5A2ALDH1A1HPGD

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