SCHEMBL900981

SCHEMBL900981

[CH2]c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
PDE4A P27815 1/20 0.39
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 3/20 0.36
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 1/20 0.34
HTR1E P28566 1/20 0.34

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
SCHEMBL900973 0.84 KMT2A (0.37) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL16952522 0.80 CSNK2A1 (0.43) POLBTSHRHPGDSLC6A4HTR2A
SCHEMBL900933 0.78 HTT (0.36) KMT2AMEN1MAPTPDE4AHTT
SCHEMBL29958589 0.76 MAPT (0.52) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL900982 0.76 TSHR (0.57) KMT2AMEN1MAPTLMNATSHR
SCHEMBL12505439 0.76 MAPT (0.52) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL14121396 0.76 TTR (0.53) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL4334089 0.76 KMT2A (0.40) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL29488738 0.76 PPARA (0.48) KMT2AMEN1MAPTPDE4ALMNA
SCHEMBL931460 0.76 PPARA (0.48) KMT2AMEN1MAPTPDE4ALMNA

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed