SCHEMBL28844960

SCHEMBL28844960

O=S(=O)(c1ccc(Cn2cccn2)cc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KAT7 O95251 2/20 0.43
KAT6A Q92794 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
NAMPT P43490 1/20 0.41
PREP P48147 1/20 0.40
LRRK2 Q5S007 3/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
KEAP1 Q14145 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
SCHEMBL176302 0.80 PREP (0.38) MRGPRX4NAMPTPREPLRRK2RXRA
SCHEMBL28148776 0.80 CA12 (0.49) LMNAMAPTKAT7KAT6ACA12
SCHEMBL28150075 0.80 CA12 (0.49) LMNAMAPTKAT7KAT6ACA12
SCHEMBL28844823 0.79 CA12 (0.58) LMNAMAPTKAT7KAT6ACA12
SCHEMBL22446082 0.76 CA12 (0.52) LMNAKAT7KAT6ACA12CA1
SCHEMBL31307742 0.73 MAOB (0.54) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL27923228 0.73 CA12 (0.65) MEN1KMT2AMAPTKAT7KAT6A
SCHEMBL28953341 0.72 CA12 (0.50) LMNAMAPTKAT7KAT6ACA12
SCHEMBL28149935 0.72 CA12 (0.50) LMNAMAPTKAT7KAT6ACA12
SCHEMBL28845079 0.72 CA12 (0.49) MAPTKAT7KAT6ACA12CA1

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
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed