SCHEMBL11340646

SCHEMBL11340646

NC(=O)NOS(=O)ONC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA5A P35218 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CA9 Q16790 1/20 0.37
CRBN Q96SW2 1/20 0.30

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
SCHEMBL4965995 0.77
Ammonia Solution, Strong SCHEMBL27522184 0.77
SCHEMBL2057453 0.73
SCHEMBL11801776 0.73 ALDH1A1 (0.35)
SCHEMBL28009309 0.67 LMNA (0.41) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL5409424 0.65
SCHEMBL33749 0.65 LMNA (0.47) TSHRNFKB1LMNACYP1A2MAOA
Water SCHEMBL6817829 0.62 LMNA (0.44) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL11150248 0.62
SCHEMBL124579 0.62

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781230-A Formulations and uses thereof BASF SE 2012-11-14 CN disclosed
US-4285738-A A HYPERTONIC SOLUTION OF UREA OR AN ACID SALT OF GUANIDINE, A SULFUR-CONTAINING REDUCING AGENT, AND A PROTEOLYTIC ENZYME; SYNERGISTIC SENJU PHARMACEUTICAL CO., LTD. (JP) 1981-08-25 US disclosed