SCHEMBL13091045

SCHEMBL13091045

Cc1ccc2c(c1)N(C(C)C)C(=O)C(C)(C)O2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.58
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
USP2 O75604 2/20 0.35
HTT P42858 1/20 0.35
PGR P06401 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL15786402 0.88 SLC9A1 (0.58) SLC9A1KMT2APOLBMEN1MAPT
SCHEMBL20752138 0.80 SLC9A1 (0.52) SLC9A1ELANEPRTN3ALDH1A1PGR
SCHEMBL89095 0.80 PDE3B (0.52) SLC9A1KMT2APOLBMEN1MAPT
SCHEMBL8039159 0.77 SLC9A1 (0.66) SLC9A1KMT2APOLBMEN1MAPT
SCHEMBL3288905 0.77 SLC9A1 (0.47) SLC9A1PDE3BPDE3APGR
SCHEMBL13091244 0.75 TSHR (0.42) SLC9A1KMT2APOLBMEN1MAPT
SCHEMBL13340980 0.75 SLC9A1 (0.57) SLC9A1KMT2APOLBHPGDALDH1A1
SCHEMBL8365602 0.74 SLC9A1 (1.00) SLC9A1KMT2APOLBMEN1MAPT
SCHEMBL13091047 0.74 ALDH1A1 (0.47) KMT2APOLBMEN1MAPTHPGD
SCHEMBL89093 0.73 POLB (0.47) KMT2APOLBMEN1MAPTHPGD

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-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed