SCHEMBL9873603

SCHEMBL9873603

Nc1cc(OCCOCC(F)(F)F)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 1/20 0.34
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL17543522 0.86 MAPT (0.55) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9684658 0.81 L3MBTL1 (0.44) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9684646 0.81 L3MBTL1 (0.39) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9616201 0.80 MAPT (0.55) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL8879337 0.78 L3MBTL1 (0.48) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL9873744 0.78 MAOA (0.33) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL17543904 0.78 HTR2C (0.44) MAOASMN1; SMN2NPC1KCNH2
SCHEMBL8604315 0.76 CSNK2A1 (0.49) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL8599263 0.75 GLA (0.50) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL17542999 0.75 L3MBTL1 (0.46) MAPTMEN1KMT2AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5024694-A Pre and postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-06-18 US disclosed
EP-0384192-A2 N-Aryl nitrogen heterocycles having fluorine-containing substituents BAYER AG (DE) 1990-08-29 EP disclosed