SCHEMBL3127062

SCHEMBL3127062

CC(=O)c1ccc(N2CCOCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
THRB P10828 1/20 0.46
PRKDC P78527 4/20 0.45
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL26990021 0.88 HPGD (0.51) ARHPGDMAPTALDH1A1KDM4E
SCHEMBL28725597 0.85 MAPT (0.55) ARHPGDMAPTALDH1A1KDM4E
SCHEMBL7826262 0.82 ALDH1A1 (0.49) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL3121764 0.81 ALDH1A1 (0.57) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL1946478 0.78 MEN1 (0.50) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL4395535 0.78 MAPT (0.49) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL3124302 0.75 MAPT (0.58) ARHPGDMAPTALDH1A1KDM4E
SCHEMBL5232416 0.74 HDAC3 (0.45) MAPTALDH1A1LMNAKMT2A
SCHEMBL7860579 0.74 AR (0.56) ARMAPTALDH1A1KDM4ELMNA
SCHEMBL3121805 0.72 PRKDC (0.48) MAPTALDH1A1KDM4ELMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed