SCHEMBL14378552

SCHEMBL14378552

c1ccc2c(Nc3ccc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)cc3)c3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
KDM1A O60341 10/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12128611 0.91 ALOX5 (0.52) ALOX5KMT2AMEN1ATMKDM4E
SCHEMBL28425271 0.89 KDM1A (0.50) KDM1AKMT2AMEN1POLBRAD52
SCHEMBL13957045 0.89 ALOX5 (0.53) ALOX5KMT2AMEN1ATMKDM4E
SCHEMBL19849887 0.87 ALOX5 (0.49) ALOX5KDM1AKMT2AMEN1ATM
SCHEMBL8148202 0.87 KDM1A (0.54) KDM1AKMT2AMEN1POLBRAD52
SCHEMBL19763117 0.84 KDM1A (0.60) KDM1AKMT2AMEN1MAPTLMNA
SCHEMBL12128619 0.81 ALOX5 (0.44) ALOX5KMT2AMEN1KDM4EMAPT
SCHEMBL13446159 0.81 CYP11B1 (0.44) KDM1AKMT2AMEN1POLBRAD52
SCHEMBL3287371 0.81 KDM1A (0.63) KDM1AKMT2AMEN1POLBRAD52
SCHEMBL12128613 0.79 ALOX5 (0.45) ALOX5KMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9214636-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-12-15 US disclosed
US-20070243411-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2007-10-18 US disclosed