SCHEMBL2856865

SCHEMBL2856865

CCCc1c(OC(=O)NCc2ccc3c(c2)OCO3)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL2852547 0.81 LMNA (0.45) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL2856900 0.80 MAPT (0.47) SMN1; SMN2MAPTGAACYP1A2CYP2D6
SCHEMBL2852375 0.79 CCR1 (0.63) MEN1KMT2AMAPTHPGDGAA
SCHEMBL2851002 0.79 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL2848480 0.78 ALDH1A1 (0.61) L3MBTL1SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL2857766 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL2858349 0.78 CNR1 (0.44) ALDH1A1MAPTGAALMNA
SCHEMBL2850782 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTHPGDTSHR
SCHEMBL2855797 0.77 CNR1 (0.47) SMN1; SMN2MAPTGAANPSR1LMNA
SCHEMBL2856558 0.77 LMNA (0.48) ALDH1A1KMT2AMAPTHPGDGAA

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed