SCHEMBL29904100

SCHEMBL29904100

COCCC1(N)N=C(Nc2ccccc2)N=C(c2noc(-c3ccc(OCC(F)(F)F)nc3)n2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DGAT1 O75907 1/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
GABRA5 P31644 2/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
HDAC4 P56524 1/20 0.32
SCN9A Q15858 2/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MGAT2 Q10469 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
EPHX2 P34913 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
SCHEMBL29561209 0.75 KCNH3 (0.52) NPSR1MEN1LMNAKMT2ATDP1
SCHEMBL797045 0.75 KCNH3 (0.52) NPSR1MEN1LMNAKMT2ATDP1
SCHEMBL29904069 0.73 KCNH3 (0.40) MEN1LMNAKMT2ATDP1ALDH1A1
SCHEMBL795752 0.72 KMT2A (0.43) NPSR1MEN1LMNAKMT2ATDP1
SCHEMBL795751 0.70 L3MBTL1 (0.45) NPSR1MEN1LMNAKMT2ATDP1
SCHEMBL3749726 0.69 NR1H4 (0.50) NPSR1L3MBTL1HDAC6HDAC1HDAC8
SCHEMBL795285 0.67 NPSR1 (0.38) NPSR1L3MBTL1DGAT1HDAC6HDAC1
SCHEMBL795269 0.66 EPHX2 (0.39) NPSR1MEN1LMNAKMT2ATDP1
SCHEMBL796256 0.66 ROCK1 (0.42) LMNAL3MBTL1HDAC6HDAC1HDAC8
SCHEMBL794750 0.64 SYK (0.41) MGAT2S1PR1

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-114933585-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-08-23 CN disclosed