SCHEMBL6743936

SCHEMBL6743936

CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.CC[n+]1ccc(Cl)c2ccccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
NPC1 O15118 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL4625936 0.90 KDM4E (0.44) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL4625719 0.87 KDM4E (0.41) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL6743884 0.82 CHKA (0.39) CHKA
SCHEMBL5272717 0.77 KDM4E (0.39) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL6740684 0.76 PTGER4 (0.36) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL6741615 0.76 HSD17B10 (0.39) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL6744503 0.76 HSD17B10 (0.39) KDM4EMAPTKMT2APOLBLMNA
SCHEMBL20618216 0.74 KDM4E (0.48) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL1476988 0.71 KDM4E (0.57) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL6337305 0.70 CHKA (0.43) CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO disclosed