SCHEMBL9792145

SCHEMBL9792145

N=C(N)N(C(=N)N)C(=O)NC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL31467657 0.84
SCHEMBL3723478 0.74 CRBN (0.50) CRBNTSHRNFKB1LMNACYP1A2
SCHEMBL11342605 0.69
SCHEMBL8606396 0.69
SCHEMBL11501640 0.67 CRBN (0.47) CRBNTSHRNFKB1LMNACYP1A2
SCHEMBL5799121 0.67 ALDH1A1 (0.33) LMNA
SCHEMBL146394 0.67
SCHEMBL11501793 0.67 ALDH1A1 (0.33) LMNA
SCHEMBL375911 0.67
SCHEMBL1321184 0.67

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
JP-3080934-A None JP disclosed
JP-H0380934-A ADSORBENT OF LOWER ALDEHYDES TAKEDA CHEM IND LTD 1991-04-05 JP disclosed