SCHEMBL18609581

SCHEMBL18609581

COc1c(CO)cc(S(F)(F)(F)(F)F)cc1NC(=O)NCc1ccccc1OCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NAMPT P43490 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL18609811 0.86 NAMPT (0.46) ALDH1A1NAMPTMEN1KMT2AROCK2
SCHEMBL18609676 0.81 KMT2A (0.40) ALDH1A1MEN1KMT2AROCK2ROCK1
SCHEMBL18609827 0.77 GAA (0.42) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL18609678 0.77 RXRA (0.45) MEN1KMT2ALMNASMN1; SMN2PLA2G1B
SCHEMBL18609591 0.77 NAMPT (0.49) ALDH1A1NAMPTROCK2ROCK1LMNA
SCHEMBL18609599 0.77 HDAC1 (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL18609585 0.74 ALDH1A1 (0.49) ALDH1A1NAMPTKMT2AROCK2ROCK1
SCHEMBL18609615 0.74 MRGPRX4 (0.46) LMNASMN1; SMN2
SCHEMBL18609616 0.73 ROCK2 (0.47) ALDH1A1NAMPTMEN1KMT2AROCK2
Hydrochloric Acid SCHEMBL20357251 0.73 ROCK2 (0.46) ALDH1A1NAMPTMEN1KMT2AROCK2

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
WO-2017038871-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 WO disclosed