SCHEMBL6230263

SCHEMBL6230263

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Cl)c(O)c(CCO)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
SLC6A9 P48067 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 1/20 0.34
FFAR1 O14842 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
RORC P51449 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP14 P50281 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
SCHEMBL4346978 0.91 MAPT (0.41) MAPTRAB9ASLC6A9LMNAALDH1A1
SCHEMBL6225098 0.87 MAPT (0.40) MAPTLMNASMN1; SMN2POLBKDM4E
SCHEMBL6226242 0.87 SLC6A4 (0.41) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL6227291 0.87 SMN1; SMN2 (0.38) MAPTALDH1A1SMN1; SMN2KDM4EFFAR1
SCHEMBL4351090 0.86 LMNA (0.41) MAPTRAB9ASLC6A9LMNAALDH1A1
SCHEMBL6227136 0.86 LMNA (0.39) MAPTRAB9ASLC6A9LMNAALDH1A1
SCHEMBL6226094 0.84 KMT2A (0.51) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL6226736 0.84 MEN1 (0.41) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4351072 0.84 NOX4 (0.41) MAPTRAB9ASLC6A9LMNAALDH1A1
SCHEMBL4345355 0.84 PTPN1 (0.39) MAPTRAB9ASLC6A9LMNAALDH1A1

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
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed