SCHEMBL6179880

SCHEMBL6179880

CCOC(=O)C(C)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RECQL P46063 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10387640 0.90 MEN1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL6177633 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL10387605 0.83 KMT2A (0.40) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL11566682 0.82 KMT2A (0.42) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL6179089 0.81 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL27438241 0.79 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL10386448 0.79 MAPK1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL6180406 0.78 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL10388787 0.78 MAPK1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL9820875 0.78 MAPK1 (0.44) MEN1KMT2AALDH1A1MAPK1HPGD

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-0708756-B1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AG (DE) 2005-06-01 EP disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0708756-A1 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed