SCHEMBL11233552

SCHEMBL11233552

CC(C)(CO)/C(Cn1cncn1)=N\O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FDPS P14324 1/20 0.35
CYP19A1 P11511 5/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
UGT1A4 P22310 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11233553 1.00 CYP3A4 (0.35) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11242336 0.86 CYP3A4 (0.35) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11244290 0.86 FDPS (0.34) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11244294 0.86 FDPS (0.34) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11242334 0.86 CYP3A4 (0.35) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11238618 0.85 FDPS (0.38) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11238616 0.85 FDPS (0.38) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11234157 0.83 CYP19A1 (0.33) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11234160 0.83 CYP19A1 (0.33) CYP3A4ALDH1A1FDPSCYP19A1EGLN3
SCHEMBL11236102 0.83 CYP19A1 (0.33) CYP3A4ALDH1A1FDPSCYP19A1EGLN3

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
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0005249-A2 Substituted alkanyl-azolyl carbamates, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-11-14 EP disclosed