SCHEMBL4401103

SCHEMBL4401103

Cc1cccc(C(=Nc2ccccc2)c2cccc(C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.59
ESR1 P03372 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
POLB P06746 3/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4400953 0.84 ESR2 (0.73) ESR2ESR1SMN1; SMN2HTR3EHTR3B
SCHEMBL11774153 0.81 CYP2D6 (0.66) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11774159 0.81 CYP2D6 (0.66) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11769769 0.80 CYP2D6 (0.64) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11769765 0.80 CYP2D6 (0.64) SMN1; SMN2HTR3EHTR3BHTR3AHTR3D
SCHEMBL20198257 0.80 ESR2 (0.66) ESR2ESR1SMN1; SMN2HTR3EHTR3B
SCHEMBL25693071 0.80 ESR2 (0.66) ESR2ESR1SMN1; SMN2HTR3EHTR3B
SCHEMBL4450591 0.79 ESR2 (0.74) ESR2ESR1HTR3EHTR3BHTR3A
SCHEMBL12336909 0.78 ESR2 (0.69) ESR2ESR1HTR3EHTR3BHTR3A
SCHEMBL434736 0.78 ALDH1A1 (0.52) ESR2ESR1SMN1; SMN2POLBPARP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed