SCHEMBL27778404

SCHEMBL27778404

[CH2]C(c1ccc(Cl)nc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CD O00329 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL14127344 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL28000938 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL27707801 0.77 EDNRA (0.31)
SCHEMBL27624331 0.75 CYP3A4 (0.43) SMN1; SMN2MAPTCYP3A4CYP2D6SLC6A2
SCHEMBL27656284 0.75 CYP3A4 (0.43) SMN1; SMN2MAPTCYP3A4CYP2D6SLC6A2
SCHEMBL1554283 0.74 MAPT (0.39) SMN1; SMN2MAPTCHRNB2CHRNA3CHRNA7
SCHEMBL1993051 0.73 SMN1; SMN2 (0.39) SMN1; SMN2MAPTCHRNB2CHRNA3CHRNA7
SCHEMBL1090665 0.73 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL753852 0.72 NAPRT (0.44) SMN1; SMN2MAPTCYP3A4CYP2D6SLC6A2
SCHEMBL890206 0.72 ALDH1A1 (0.41) SMN1; SMN2MAPTCYP3A4CYP2D6SLC6A2

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
CN-101541785-B Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER IP GMBH 2014-03-12 CN disclosed
CN-101541785-A Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-09-23 CN disclosed