SCHEMBL6152341

SCHEMBL6152341

ClN=C1C=CC(=Nc2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
TTR P02766 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MIF P14174 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
HTR3B O95264 1/20 0.31

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
SCHEMBL755432 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15463133 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12336906 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11273533 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3313983 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13871377 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1813567 0.76 TXNRD1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6208251 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20683979 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20198346 0.74 ALOX12 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194117-B1 AGENT FOR DYEING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2005-06-01 EP claimed