SCHEMBL5228511

SCHEMBL5228511

COc1ccc(-c2ccc(C(c3cn[nH]c3-c3ccco3)N3CCC(O)C3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMAD3 P84022 3/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35
POLB P06746 1/20 0.34
P4HB P07237 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5226460 0.84 ALDH1A1 (0.38) MAPTSMAD3POLBP4HBALDH1A1
SCHEMBL5227650 0.84 SIRT1 (0.35) POLBALDH1A1TSHRKDM4EHPGD
SCHEMBL5230462 0.84 HTR1A (0.47) MAPTSMAD3HTR1AHTR7HTR2B
SCHEMBL5232268 0.84 BCL2L11 (0.39) MAPTSMAD3HTR1AHTR7HTR2B
SCHEMBL5226495 0.83 NPSR1 (0.44) MAPTALDH1A1TSHRKDM4EKMT2A
SCHEMBL2901677 0.83 MAPT (0.39) MAPTSMAD3POLBP4HBALDH1A1
SCHEMBL5224311 0.83 LMNA (0.45) MAPTSMAD3HTR1AHTR7HTR2B
SCHEMBL2000118 0.80 KCNH2 (0.33) MAPTHTR7ALDH1A1NPC1SMN1; SMN2
SCHEMBL2003026 0.80 GSK3B (0.33) MAPTHTR1AHTR7HTR2BHTR6
SCHEMBL1998346 0.79 GSK3B (0.34) MAPTHTR7NPC1SMN1; SMN2

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-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed