SCHEMBL7440930

SCHEMBL7440930

O=C(CO)CCCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 1/20 0.66
HRH1 P35367 2/20 0.51
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
LMNA P02545 1/20 0.45
PTPRA P18433 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HRH4 Q9H3N8 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
SCHEMBL19177065 0.86 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL9658041 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL3673389 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL9774 0.84 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6687222 0.84 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL6196923 0.84 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL3513717 0.82 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL7167984 0.82 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
Hydrochloric Acid SCHEMBL7206845 0.82 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1
SCHEMBL20378876 0.80 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19HRH1TDP1

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
WO-1993010778-A1 INHIBITION OF ANGIOGENESIS WITH PYRIDINYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-10 WO disclosed