SCHEMBL5597442

SCHEMBL5597442

CN1C(=O)NC(=O)CC1(N)N

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4285496 0.71 TOP2A (0.34) CRBNKDM4ELMNACYP2C19
SCHEMBL4284253 0.67 PTGS1 (0.37) KDM4ELMNACYP2C19
SCHEMBL14058728 0.65 CYP19A1 (0.34)
SCHEMBL4283528 0.64 DDB1 (0.46) CRBNKDM4ECYP2C19
SCHEMBL4291499 0.64 KDM4E (0.31) KDM4E
SCHEMBL5685558 0.63 ALDH1A1 (0.33) KDM4ELMNACYP2C19
SCHEMBL24372750 0.60 CRBN (0.50) CRBNKDM4ELMNACYP2C19TSHR
SCHEMBL10025159 0.60
SCHEMBL10028354 0.60
SCHEMBL21769 0.58

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
EP-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP disclosed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO disclosed