SCHEMBL7989978

SCHEMBL7989978

CCOC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.61
SIRT1 Q96EB6 2/20 0.61
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PARP1 P09874 1/20 0.48
MTOR P42345 3/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
CHEK2 O96017 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44

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
SCHEMBL7987913 0.92 SIRT2 (0.59) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7989361 0.91 SIRT2 (0.52) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7978031 0.91 SIRT2 (0.61) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7977895 0.90 SIRT2 (0.61) SIRT2SIRT1KDM4ELMNAMAPT
SCHEMBL7977684 0.85 SIRT2 (0.60) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7991747 0.84 PARP1 (0.53) SIRT2SIRT1KDM4EMAPTALOX5
SCHEMBL7988152 0.83 SIRT2 (0.61) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7991536 0.82 SIRT2 (0.52) SIRT2SIRT1KDM4ELMNAMAPT
SCHEMBL7991809 0.82 SIRT2 (0.59) SIRT2SIRT1KDM4EMAPTALOX5
SCHEMBL7989867 0.81 SIRT2 (0.58) SIRT2SIRT1SMN1; SMN2MAPTALDH1A1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed