SCHEMBL7494307

SCHEMBL7494307

COc1ccc(-n2c(=O)cc(C)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 3/20 0.51
NQO2 P16083 1/20 0.51
TP53 P04637 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
METAP2 P50579 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 1/20 0.45
G6PD P11413 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
P2RX4 Q99571 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
SCHEMBL378029 0.84 KDM4E (0.61) KDM4ENQO2ALDH1A1HPGDPOLB
SCHEMBL11544557 0.84 MAPT (0.59) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL11540674 0.84 MAPT (0.55) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL3469530 0.84 KDM4E (0.50) MAPTLMNAKDM4ENQO2ALDH1A1
SCHEMBL8331649 0.82 KDM4E (0.54) MAPTLMNAKDM4ENQO2ALDH1A1
SCHEMBL19879303 0.80 MAPT (0.65) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL11460501 0.79 USP14 (0.50) MAPTLMNAKDM4ETP53SMN1; SMN2
SCHEMBL29539968 0.79 MAPT (0.62) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL29415 0.79 MAPT (0.62) MAPTLMNAKDM4ETP53ALDH1A1
SCHEMBL11538165 0.79 NPSR1 (0.51) MAPTLMNAKDM4EHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740689-B1 SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY MOLECULAR PROBES INC (US) 2002-01-30 EP disclosed
US-5658751-A SUBSTITUENTS ON PYRIDINIUM OR QUINOLINIUM RING SYSTEM SERVE TO INCREASE OR DECREASE PERMEABILITY, SELECTIVITY AND BINDING AFFINITY OF NUCLEIC ACID STAINS; FORM FLUORESCENT COMPLEXES WITH NUCLEIC ACIDS MOLECULAR PROBES, INC. (US) 1997-08-19 US disclosed
WO-1996013552-A2 SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY MOLECULAR PROBES, INC. (US) 1996-05-09 WO disclosed