SCHEMBL13445401

SCHEMBL13445401

Ic1c2ccccc2cc2ccncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
RAD52 P43351 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.49
TNF P01375 1/20 0.44
CYP11B1 P15538 1/20 0.43
TOP2A P11388 1/20 0.43
MAPK10 P53779 1/20 0.41
ACHE P22303 1/20 0.40
CLK1 P49759 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TDO2 P48775 2/20 0.39
MAOA P21397 2/20 0.39

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
SCHEMBL1133128 0.81 ALDH1A1 (0.50) KDM4EACHEMAOAMAPTALOX5
Benzene SCHEMBL4082384 0.79 ALDH1A1 (0.50) KDM4EACHEMAOAMAPTALOX5
SCHEMBL10072720 0.78 TOP2A (0.55) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL12887711 0.77 KDM4E (0.53) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL30641851 0.77 KDM4E (0.53) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL27110267 0.76 KDM4E (0.43) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL1102619 0.74 KDM4E (0.50) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL12887710 0.74 TNF (0.54) KDM4EHTTPOLBRAD52NCOA3
SCHEMBL2222268 0.74 ALDH1A1 (0.55) KDM4EACHEMAOA
SCHEMBL26467980 0.74 CYP1A2 (0.43) KDM4EACHEMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161320-A2 Fluorene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-03-10 EP disclosed