SCHEMBL9029040

SCHEMBL9029040

NC(N)(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
KCNN4 O15554 1/20 0.44
LMNA P02545 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL6743744 0.82 AOC3 (0.47) AOC3KCNN4LMNAADRA2AADRA2C
SCHEMBL10451736 0.78 AOC3 (0.53) AOC3KCNN4LMNAADRA2AADRA2C
SCHEMBL8325119 0.77 AOC3 (0.47) AOC3KCNN4LMNAADRA2AADRA2C
SCHEMBL8674747 0.76 AOC3 (0.45) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL9791491 0.76 CYP2D6 (0.52) KCNN4LMNAADRA2AADRA2CHIF1A
SCHEMBL11772008 0.76 KCNN4 (0.48) KCNN4CYP1A2CYP2D6ALDH1A1DPP4
SCHEMBL5463176 0.76 AOC3 (0.50) AOC3LMNAADRA2AADRA2CHIF1A
SCHEMBL10777997 0.74 DPP4 (0.46) KCNN4LMNAADRA2AADRA2CHIF1A
SCHEMBL1868206 0.74 KCNA5 (0.46) AOC3KCNN4LMNAKDM4ECYP2D6
SCHEMBL2172547 0.74 KCNA5 (0.46) AOC3KCNN4LMNAKDM4ECYP2D6

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
EP-0708764-A1 ENANTHIOSELECTIVE PREPARATION OF THIAZOLE DERIVATIVES PFIZER INC. (US) 1996-05-01 EP claimed
WO-1995002585-A1 ENANTHIOSELECTIVE PREPARATION OF THIAZOLE DERIVATIVES PFIZER INC. (US) 1995-01-26 WO claimed