SCHEMBL28018641

SCHEMBL28018641

O=C(O)c1csc([N+](=O)[O-])c1SCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 3/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
PTPRC P08575 1/20 0.43
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.41
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39

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
SCHEMBL1523252 0.86 PKM (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL334730 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL335233 0.81 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL17886203 0.81 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4834129 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1799577 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1799154 0.77 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9087640 0.75 TSHR (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4779987 0.72 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL12768622 0.70 TSHR (0.55) ALDH1A1MAPTCYP3A4HTT

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-103827100-B For reducing [1,2,4] thiadiazine 1,1-dioxide compound of serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2015-08-12 CN disclosed