SCHEMBL9826061

SCHEMBL9826061

COC(=O)COc1ccc(C(C)CN2CCOC(c3nc(C(F)(F)F)sc3C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5AP P20292 1/20 0.34
P2RX3 P56373 5/20 0.34
P2RX2 Q9UBL9 5/20 0.34
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
FKBP1A P62942 1/20 0.32
MAPT P10636 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL9825542 0.85 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL8880433 0.83 ALOX5AP (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL9826314 0.80 MEN1 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL9826846 0.79 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL9825810 0.79 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL9825332 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL9825661 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1HPGD
SCHEMBL9825575 0.77 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1ALDH1A1FKBP1A
SCHEMBL9825803 0.77 MCHR1 (0.34) SMN1; SMN2KMT2AMEN1ALDH1A1THRB
SCHEMBL9825436 0.76 PIK3CA (0.35) SMN1; SMN2KMT2AMEN1ALDH1A1P2RX3

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
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed