SCHEMBL4750441

SCHEMBL4750441

C(=C(c1ccccc1)c1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4cccs4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A2 P43354 1/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
TNFRSF1A P19438 1/20 0.35
ESR2 Q92731 1/20 0.34
GLS O94925 1/20 0.34
GLS2 Q9UI32 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ERN1 O75460 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27959988 0.83 KDM4E (0.44) KDM4EATML3MBTL1NR4A2ESR2
SCHEMBL4750447 0.82 PRF1 (0.39) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL10128529 0.82 KDM4E (0.50) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL12774519 0.82 KDM4E (0.45) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL12774549 0.81 KDM4E (0.44) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL27964962 0.79 KDM4E (0.46) KDM4EATML3MBTL1NR4A2ALDH1A1
SCHEMBL9890960 0.79 KDM4E (0.46) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL14124332 0.78 KDM4E (0.53) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL19831919 0.78 KDM4E (0.49) KDM4EATML3MBTL1CYP19A1CYP11B2
SCHEMBL13038438 0.78 MAPT (0.41) KDM4EATML3MBTL1CYP19A1CYP11B2

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
WO-2008146975-A1 NOVEL ORGANIC DYE CONTAINING N-ARYLCARBAZOLE MOIETY AND PREPARATION THEREOF DONGJIN SEMICHEM CO., LTD (KR) 2008-12-04 WO disclosed
WO-2008146975-A1 NOVEL ORGANIC DYE CONTAINING N-ARYLCARBAZOLE MOIETY AND PREPARATION THEREOF DONGJIN SEMICHEM CO., LTD (KR) 2008-12-04 WO disclosed