SCHEMBL21669403

SCHEMBL21669403

CCOC1Nc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
CREBBP Q92793 4/20 0.39
BRD4 O60885 4/20 0.39
BRPF1 P55201 1/20 0.38
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.35
EP300 Q09472 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTR5A P47898 3/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8288268 0.70 CREBBP (0.46) MAPTGAAMEN1ALOX15CASP1
SCHEMBL7049313 0.69 LMNA (0.38) MAPTGAAMEN1ALOX15CASP1
SCHEMBL11085428 0.69 SIGMAR1 (0.37) MAPTGAATSHRALDH1A1KDM4E
SCHEMBL29489190 0.69 LMNA (0.38) MAPTGAAMEN1ALOX15CASP1
Hydrochloric Acid SCHEMBL30920862 0.68 LMNA (0.38) MAPTGAAMEN1ALOX15CASP1
Hydrochloric Acid SCHEMBL29197876 0.68 LMNA (0.38) MAPTGAAMEN1ALOX15CASP1
SCHEMBL9365645 0.67 GAA (0.43) MAPTGAAMEN1CASP7KMT2A
SCHEMBL8279432 0.66 CREBBP (0.50) MAPTGAAMEN1ALOX15CASP1
SCHEMBL6587899 0.66 CREBBP (0.50) MAPTGAAMEN1ALOX15CASP1
SCHEMBL30570964 0.66 CREBBP (0.50) MAPTGAAMEN1ALOX15CASP1

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
WO-2020026162-A1 PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN RICHTER GEDEON NYRT. (HU) 2020-02-06 WO disclosed