SCHEMBL28360337

SCHEMBL28360337

Cc1c(Br)cccc1C(=O)NNC(=O)CCOC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.37
F2R P25116 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL20539950 0.78 L3MBTL1 (0.46) L3MBTL1RECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL28616072 0.77 SMN1; SMN2 (0.46) L3MBTL1RECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL30577136 0.77 SMN1; SMN2 (0.46) L3MBTL1RECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL28921340 0.75 SMN1; SMN2 (0.45) L3MBTL1RECQLALDH1A1SMN1; SMN2MAPT
SCHEMBL24613319 0.74 MEN1 (0.41) L3MBTL1RECQLALDH1A1GAAKMT2A
SCHEMBL29724468 0.74 MEN1 (0.41) L3MBTL1RECQLALDH1A1GAAKMT2A
SCHEMBL18190399 0.73 P2RX7 (0.50) ALDH1A1SMN1; SMN2MAPTGAAHPGD
SCHEMBL27316128 0.71 NPC1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL27007827 0.70 NPC1 (0.68) L3MBTL1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL28610687 0.70 HDAC8 (0.48) ALDH1A1SMN1; SMN2GAAHPGDKMT2A

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-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed