SCHEMBL11236102

SCHEMBL11236102

COCC(C)(C)C(Cn1cncn1)=NO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.31
UGT1A4 P22310 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL11236083 1.00 CYP19A1 (0.33) CYP19A1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL11233553 0.83 CYP3A4 (0.35) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11233552 0.83 CYP3A4 (0.35) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11242334 0.82 CYP3A4 (0.35) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11244294 0.82 FDPS (0.34) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11242336 0.82 CYP3A4 (0.35) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11244290 0.82 FDPS (0.34) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11238616 0.81 FDPS (0.38) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11238618 0.81 FDPS (0.38) CYP19A1MAPTALDH1A1HTTFDPS
SCHEMBL11234160 0.79 CYP19A1 (0.33) CYP19A1MAPTALDH1A1HTTFDPS

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 3 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-B1 SUBSTITUTED ALKANYL-AZOLYL CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES, ACARICIDES AND NEMATOCIDES BAYER AG (DE) 1981-09-02 EP 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