SCHEMBL9711717

SCHEMBL9711717

O=C1C=C(OC(=O)c2ccccc2F)CC(c2ccccc2)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LDHA P00338 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
SCHEMBL9711535 0.81 KMT2A (0.43) KMT2ALMNAALDH1A1HTTMAPT
SCHEMBL9711469 0.74 RAB9A (0.43) KMT2ALMNAALDH1A1MAPTCYP1A2
SCHEMBL9711629 0.69 ALDH1A1 (0.38) KMT2ALMNAALDH1A1ALOX15CES2
SCHEMBL6608616 0.69 LDHA (0.46) KMT2ALMNAALDH1A1MAPTKDM4E
SCHEMBL2831844 0.66 KMT2A (0.68) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL9711574 0.63 KMT2A (0.41) KMT2AALDH1A1HTTLDHA
SCHEMBL2833886 0.63 KMT2A (0.56) KMT2ALMNAALDH1A1ESR1ESR2
SCHEMBL28969974 0.63 KMT2A (0.44) KMT2ALMNAALDH1A1MAPTKDM4E
SCHEMBL28994312 0.63 KMT2A (0.61) KMT2ALMNAALDH1A1ESR1ESR2
SCHEMBL6062757 0.62 CES2 (0.62) KMT2ALMNAALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed