SCHEMBL6224147

SCHEMBL6224147

Cc1ccc(Sc2ccc([N+](=O)[O-])cc2CNc2cc(CCO)cc(Cl)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
TBXA2R P21731 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 3/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 2/20 0.40
PDE7A Q13946 3/20 0.39
CRHBP P24387 1/20 0.38
CASP3 P42574 1/20 0.38
CRHR2 Q13324 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7B Q9NP56 1/20 0.37
PLA2G1B P04054 1/20 0.37

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
SCHEMBL4357433 0.88 TBXA2R (0.44) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL6226382 0.86 TBXA2R (0.42) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4345619 0.84 MAPT (0.48) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4358481 0.84 TBXA2R (0.41) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4354207 0.83 TBXA2R (0.43) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4354093 0.83 TBXA2R (0.46) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4342036 0.81 TBXA2R (0.42) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL4347067 0.81 PDE7A (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4348886 0.80 TBXA2R (0.46) MAPTALDH1A1TBXA2RPTGESMEN1
SCHEMBL6686005 0.80 MAPT (0.42) MAPTALDH1A1MEN1KMT2AGAA

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 3 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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed