SCHEMBL14370613

SCHEMBL14370613

CN(C)N1C[C@@H]2[C@H](C1)[C@H]2c1ccc(NC(=O)OCc2ccccc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
ENPP2 Q13822 3/20 0.43
KDM1A O60341 3/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
KDM1B Q8NB78 1/20 0.42
POLB P06746 1/20 0.41
ROCK2 O75116 2/20 0.41

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
SCHEMBL5375091 1.00 MGLL (0.47) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4875448 0.83 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197111 0.83 TP53 (0.53) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4882624 0.83 TP53 (0.53) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4879529 0.83 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197109 0.83 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5382696 0.82 KMT2A (0.36) NPC1TP53MAPTTSHRRAB9A
SCHEMBL4875453 0.82 MGLL (0.51) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197159 0.82 MGLL (0.51) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197113 0.82 LMNA (0.48) MGLLNPC1ALDH1A1TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US disclosed
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US disclosed