SCHEMBL28291764

SCHEMBL28291764

O=C(NCCc1ccc(Br)cc1)c1cc[nH]c1C(=O)NCCc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
SYK P43405 1/20 0.45
CNR1 P21554 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL5840621 0.73 CNR1 (0.54) CNR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL25303812 0.72 CNR1 (0.66) CNR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL5214482 0.71 SMN1; SMN2 (0.50) TNKSTNKS2SYKNPC1RAB9A
SCHEMBL250873 0.71 PLAAT3 (0.58) CNR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL553085 0.70 KDM4E (0.70) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5840627 0.70 CNR1 (0.54) CNR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL4829684 0.69 KDM4E (0.63) SYKNPC1GAAALDH1A1MAPT
SCHEMBL15401635 0.69 LMNA (0.55) TNKSTNKS2NPC1RAB9APLAAT3
SCHEMBL15679867 0.69 NPC1 (0.72) NPC1RAB9AGAAALDH1A1LMNA
SCHEMBL3872575 0.69 HSP90AA1 (0.58) NPC1RAB9AGAAHPGDMAPT

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-109641878-A DIPROVOCIM: a new class of effective TLR agonist 斯克里普斯研究学院 2019-04-16 CN disclosed