SCHEMBL9766496

SCHEMBL9766496

CC1=C(C)C(C)N(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
EHMT2 Q96KQ7 1/20 0.47
SMO Q99835 2/20 0.46
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MGLL Q99685 1/20 0.43
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EP300 Q09472 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL17988099 0.81 MEN1 (0.58) MEN1KMT2AEHMT2ELANETSHR
SCHEMBL20086223 0.76 SMO (0.49) MEN1KMT2AEHMT2SMOF2
SCHEMBL2025098 0.75 MEN1 (0.58) MEN1KMT2AEHMT2ALDH1A1MAPT
SCHEMBL22767582 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL13297796 0.70 EHMT2 (0.49) MEN1KMT2AEHMT2SMOF2
SCHEMBL28312625 0.70 EHMT2 (0.41) MEN1KMT2AEHMT2SMOGSK3A
SCHEMBL8133525 0.70 ELANE (0.61) MEN1KMT2AGSK3AGSK3BMGLL
SCHEMBL4076507 0.70 EHMT2 (0.47) MEN1KMT2AEHMT2SMOALDH1A1
SCHEMBL12899409 0.69 EHMT2 (0.41) MEN1KMT2AEHMT2SMOELANE
SCHEMBL22661901 0.69 EHMT2 (0.47) MEN1KMT2AEHMT2SMOF2

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
US-5021587-A Synthesis of N,3,4-trisubstituted-3-azoline-2-ones PETROLITE CORPORATION (US) 1991-06-04 US disclosed