SCHEMBL27520573

SCHEMBL27520573

NC(=O)NOC(=O)NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
THPO P40225 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 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
SCHEMBL15135017 0.83 CRBN (0.38) CRBNTSHRNFKB1LMNACYP1A2
SCHEMBL28688088 0.77 TSHR (0.35) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL9425850 0.75 CRBN (0.45) CRBNTSHRNFKB1LMNACYP1A2
SCHEMBL27837414 0.74
SCHEMBL8672962 0.73
SCHEMBL376341 0.73
SCHEMBL767374 0.73
SCHEMBL10800575 0.72 TSHR (0.32) TSHRNFKB1LMNACYP1A2MAOA
Potassium Ion SCHEMBL10799331 0.72 TSHR (0.32) TSHRNFKB1LMNACYP1A2MAOA
SCHEMBL1314803 0.71 LMNA (0.41) CRBNTSHRNFKB1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406566-A Polyisocyantates composition, polyurethane resin and coating 三井化学株式会社 2017-11-28 CN disclosed
CN-1274736-C Process for catalytic dimerization of isocyanates RHODIA CHIMIE SA (FR) 2006-09-13 CN disclosed
CN-1474841-A Method for catalytic dimerization of isocyanates �޵��ǻ�ѧ��˾ 2004-02-11 CN disclosed