SCHEMBL4750447

SCHEMBL4750447

O=Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.39
APP P05067 1/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 7/20 0.34
HPGD P15428 6/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.34
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2E1 P05181 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
SCHEMBL30268521 0.86 PRF1 (0.48) PRF1APPMAPTKDM4EHPGD
SCHEMBL28494491 0.86 PRF1 (0.48) PRF1APPMAPTKDM4EHPGD
SCHEMBL13982074 0.85 MAPT (0.48) APPMAPTKDM4EHPGDALDH1A1
SCHEMBL4789644 0.85 MAPT (0.48) APPMAPTKDM4EHPGDALDH1A1
SCHEMBL4789646 0.85 MAPT (0.48) APPMAPTKDM4EHPGDALDH1A1
SCHEMBL4750441 0.82 KDM4E (0.36) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL10128529 0.80 KDM4E (0.50) KDM4EATML3MBTL1PTPN1AKR1C4
SCHEMBL12774519 0.79 KDM4E (0.45) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL12774549 0.78 KDM4E (0.44) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL9890960 0.76 KDM4E (0.46) MAPTKDM4EATML3MBTL1PTPN1

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