SCHEMBL5497892

SCHEMBL5497892

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc4cc(-c5ccc6cc7cc8c(ccc9cc%10ccccc%10cc98)cc7cc6c5)ccc4cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MPI P34949 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL15366633 0.87 ESR1 (0.43) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL7900283 0.87 ESR1 (0.47) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL29370611 0.87 ESR1 (0.47) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL7651425 0.85 ALDH1A1 (0.55) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL8132189 0.84 HSD17B1 (0.46) ALDH1A1HIF1ACYP1B1HSD17B10HSD17B1
SCHEMBL26756017 0.83 HDAC4 (0.45) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL7900209 0.83 ESR1 (0.46) ALDH1A1HIF1AHSD17B10KDM4EMEN1
SCHEMBL2725777 0.81 MEN1 (0.52) SOS1ALDH1A1HIF1AHSD17B10KDM4E
SCHEMBL24688963 0.80 HDAC4 (0.49) SOS1ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL29061171 0.80 HSD17B1 (0.49) ALDH1A1HSD17B1HSD17B2KDM4EMEN1

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-0999256-B1 COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT TDK CORP (JP) 2007-02-14 EP disclosed
US-6399223-B1 Compound for use in organic EL device and organic EL device TDK CORPORATION (JP) 2002-06-04 US disclosed
US-6339290-B1 Organic electroluminescent device and making method TDK CORPORATION (JP) 2002-01-15 US disclosed
EP-0999256-A1 COMPOUNDS FOR ORGANIC EL ELEMENT AND ORGANIC EL ELEMENT TDK Corporation (JP) 2000-05-10 EP disclosed