SCHEMBL11315917

SCHEMBL11315917

O=[N+]([O-])c1ccc(NNC(=S)Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
GAA P10253 6/20 1.00
MAPT P10636 5/20 1.00
LMNA P02545 3/20 1.00
HTT P42858 3/20 1.00
ALOX12 P18054 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
NPC1 O15118 3/20 1.00
NPSR1 Q6W5P4 1/20 1.00
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
HPGD P15428 3/20 0.76
PKM P14618 1/20 0.76
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
MITF O75030 1/20 0.55

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
SCHEMBL5078630 0.89 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL11321514 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL11310884 0.84 GAA (0.72) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL14633632 0.82 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL6301912 0.82 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL2231449 0.82 GAA (0.78) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL3898912 0.80 ALOX12 (0.77) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL11318231 0.79 GAA (0.78) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL11309040 0.79 GAA (0.78) ALDH1A1SMN1; SMN2GAAMAPTLMNA
Hydrochloric Acid SCHEMBL28977230 0.78 ALOX12 (0.74) ALDH1A1SMN1; SMN2GAAMAPTLMNA

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
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed