SCHEMBL27560841

SCHEMBL27560841

O=C1CN(c2ccccc2)C(=O)N1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.63
DDB1 Q16531 6/20 0.63
GAA P10253 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.43
ALOX5 P09917 2/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
GSK3A P49840 2/20 0.39

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
SCHEMBL746783 0.98 CRBN (0.66) CRBNDDB1GAAKDM4EMAPT
SCHEMBL11849406 0.96 CRBN (0.63) CRBNDDB1GAAKDM4EMAPT
Hydrochloric Acid SCHEMBL31439105 0.96 CRBN (0.63) CRBNDDB1GAAKDM4EMAPT
Glycine SCHEMBL28322063 0.84 DDB1 (0.51) CRBNDDB1GAAKDM4EMAPT
Phenol SCHEMBL28213597 0.83 KDM4E (0.50) CRBNDDB1GAAKDM4EMAPT
Benzene SCHEMBL27623238 0.80 KDM4E (0.59) CRBNDDB1GAAKDM4EMAPT
SCHEMBL62942 0.80 KDM4E (0.59) CRBNDDB1GAAKDM4EMAPT
SCHEMBL11663462 0.80 DDB1 (0.50) CRBNDDB1GAAKDM4EMAPT
SCHEMBL8104104 0.79 CRBN (0.67) CRBNDDB1GAAKDM4EMAPT
SCHEMBL6245696 0.78 CRBN (0.46) CRBNDDB1GAAKDM4EMAPT

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
CN-1377282-A Fatty acid-anticancer conjugates and uses thereof PROTARGA INC (US) 2002-10-30 CN disclosed