SCHEMBL4012091

SCHEMBL4012091

O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(I)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 6/20 0.47
EPHX1 P07099 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP1 P29466 1/20 0.46
GAA P10253 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45

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
SCHEMBL4120462 0.82 LMNA (0.70) LMNACYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL4017204 0.71 KMT2A (0.60) LMNAALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL7795503 0.70 SCN3A (0.48) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL612863 0.69 KMT2A (0.77) LMNAALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5915269 0.69 PSEN1 (0.60) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL5243682 0.68 KMT2A (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5243125 0.68 KMT2A (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5244903 0.68 KMT2A (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13651513 0.67 LMNA (0.67) LMNAALDH1A1EPHX1KMT2AMEN1
SCHEMBL3710420 0.67 ALDH1A1 (0.71) LMNAALDH1A1SMN1; SMN2MAPTHSD17B10

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
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed