SCHEMBL7555698

SCHEMBL7555698

O=C(O)C1CNc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 3/20 0.39
PNMT P11086 4/20 0.38
DPP4 P27487 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36

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
SCHEMBL31509381 0.87 HDAC8 (0.45) HDAC8KMT2AMEN1GAAMAPT
SCHEMBL652636 0.81 HDAC8 (0.41) HDAC8KMT2AMEN1GAAALDH1A1
SCHEMBL8088198 0.79 DRD2 (0.46) HDAC8MAPTKDM4E
SCHEMBL1016128 0.79 PNMT (0.47) ALDH1A1NOTUMPNMTAADATKDM4E
SCHEMBL7377409 0.77 HDAC8 (0.39) HDAC8KMT2AMEN1GAAMAPT
SCHEMBL7377413 0.77 HDAC8 (0.39) HDAC8KMT2AMEN1GAAMAPT
SCHEMBL7377416 0.77 HDAC8 (0.39) HDAC8KMT2AMEN1GAAMAPT
SCHEMBL27813563 0.77 GAA (0.55) HDAC8KMT2AGAAMAPTALDH1A1
SCHEMBL6754972 0.75 HDAC8 (0.41) HDAC8KMT2AMEN1GAAMAPT
SCHEMBL6754969 0.75 HDAC8 (0.41) HDAC8KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 EP disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 WO disclosed