SCHEMBL30723733

SCHEMBL30723733

C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.51
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
TACR1 P25103 1/20 0.48
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.46
ALOX5 P09917 1/20 0.46
PHGDH O43175 1/20 0.45

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
SCHEMBL3069141 0.88 ALOX5 (0.58) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL3057546 0.88 ALOX5 (0.58) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL3057548 0.88 ALOX5 (0.58) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL13229683 0.81 GAA (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31546679 0.80 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31546622 0.80 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29378108 0.79 GPR139 (0.53) GPR139NPSR1ALDH1A1NPC1MEN1
SCHEMBL10763115 0.79 NPC1 (0.65) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL10763104 0.79 NPC1 (0.65) MAPTALDH1A1NPC1MEN1KMT2A
SCHEMBL10768107 0.79 NPC1 (0.65) MAPTALDH1A1NPC1MEN1KMT2A

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-117379541-A Use of recombinant hexon protein, preparation method and recombinant protein vaccine 广州医科大学附属第一医院(广州呼吸中心) 2024-01-12 CN disclosed