SCHEMBL7380237

SCHEMBL7380237

O=C(O)Nc1ccc(C(F)(F)F)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.43
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
KDM1A O60341 1/20 0.40
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX1 P51575 1/20 0.39

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
SCHEMBL4044366 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL7669028 0.80 RXFP1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17796948 0.79 TAS2R14 (0.48) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL2432349 0.78 GAA (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL19358889 0.77 KIF11 (0.56) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL16060789 0.76 KDM4E (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL1703717 0.76 TAS2R14 (0.58) MEN1KMT2AALDH1A1PTPN1CYP1A2
SCHEMBL17220661 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL14580504 0.74 MAPK1 (0.35) MEN1KMT2AALDH1A1LIPCLIPG
SCHEMBL11055173 0.73 TAS2R14 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed