SCHEMBL5138276

SCHEMBL5138276

CCOc1scc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 6/20 0.49
PRKCZ Q05513 5/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
GSTO1 P78417 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
PTPRC P08575 1/20 0.42
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPA Q15257 1/20 0.42

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
SCHEMBL6241824 0.77 BCAT2 (0.49) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL5138278 0.74 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL2368807 0.73 ALDH1A1 (0.67) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL9532619 0.73 MEN1 (0.50) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL6673385 0.73 CHRM3 (0.45) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL2368666 0.72 RAB9A (0.55) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL1190649 0.71 PRKCZ (0.80) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL31526164 0.71 LMNA (0.62) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL31618843 0.71 LMNA (0.62) LMNAALDH1A1PRKCZHPGDMEN1
SCHEMBL23580345 0.69 LMNA (0.73) LMNAALDH1A1HPGDMEN1KMT2A

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
WO-2008002246-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN IKK2 INHIBITOR AND A SECOND ACTIVE INGRDIENT. ASTRAZENECA AB (SE) 2008-01-03 WO disclosed