SCHEMBL29956553

SCHEMBL29956553

Cc1cnc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 6/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL19172679 0.84 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL13341541 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL16302853 0.79 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL203719 0.79 ERN1 (0.47) SMN1; SMN2CYP3A4KDM4EMAPTALDH1A1
SCHEMBL1991890 0.79 TDP1 (0.39) CYP3A4KDM4EMAPTLMNAALDH1A1
SCHEMBL203806 0.79 VCAM1 (0.42) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL761929 0.77 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL12161594 0.76 SMN1; SMN2 (0.56) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL16302885 0.75 SMN1; SMN2 (0.48) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL19712001 0.75 ALDH1A1 (0.49) SMN1; SMN2TSHRCYP3A4KDM4EMAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed