SCHEMBL9752039

SCHEMBL9752039

O=C(O)C1(Cl)Cc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC9 Q9UKV0 1/20 0.34
EPHX2 P34913 1/20 0.34
CXCR5 P32302 2/20 0.34
MME P08473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL38660901 0.75 MAPT (0.39) MAPTGAAMEN1KMT2ABRD4
SCHEMBL5837737 0.75 BRD4 (0.42) MAPTGAAMEN1KMT2ABRD4
SCHEMBL6773172 0.75 BRD4 (0.42) MAPTGAAMEN1KMT2ABRD4
SCHEMBL3808275 0.72 GAA (0.35) MAPTGAAALDH1A1CYP1A2POLB
SCHEMBL29192390 0.72 BRD4 (0.38) MAPTGAAMEN1KMT2ABRD4
SCHEMBL1144876 0.71 AHR (0.37) MAPTGAAMEN1KMT2ABRD4
SCHEMBL25987161 0.71 BRD4 (0.37) MAPTGAAMEN1KMT2ABRD4
SCHEMBL27333155 0.69 BRD4 (0.36) MAPTGAAMEN1KMT2ABRD4
SCHEMBL28560295 0.69 GAA (0.39) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL21143033 0.68 MAPT (0.38) MAPTGAAMEN1KMT2AAHR

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
WO-2013190212-A1 METHOD FOR PRODUCING CHIRAL PEPTIDES DIVERCHIM (FR) 2013-12-27 WO disclosed
EP-0449884-A4 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS 1991-10-30 EP disclosed
EP-0449884-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-10-09 EP disclosed
WO-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed