SCHEMBL5764459

SCHEMBL5764459

N#C[C@@]1(c2ccc(NC(=O)OCc3ccccc3)cc2)C2CCC[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
RCOR1 Q9UKL0 2/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 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
PREP P48147 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ROCK2 O75116 1/20 0.45
MGLL Q99685 1/20 0.44
TGM2 P21980 3/20 0.44

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
SCHEMBL6002580 1.00 KDM1A (0.51) KDM1AMAOAMAOBRCOR1MMP2
SCHEMBL5762893 0.82 NPC1 (0.49) KDM1AMAOAMAOBRCOR1MMP2
SCHEMBL6003765 0.80 KDM1A (0.43) KDM1AMAOAMAOBRCOR1TP53
SCHEMBL6607260 0.80 NPC1 (0.55) KDM1AMAOAMAOBRCOR1TP53
SCHEMBL10598558 0.73 POLB (0.69) KDM1AMAOAMAOBRCOR1TP53
Benzyl Phenylcarbamate SCHEMBL1222943 0.73 POLB (0.78) KDM1AMAOAMAOBRCOR1TP53
SCHEMBL4187427 0.73 POLB (0.61) KDM1AMAOAMAOBRCOR1TP53
SCHEMBL9080564 0.72 POLB (0.68) KDM1AMAOAMAOBRCOR1TP53
SCHEMBL2175244 0.72 POLB (0.53) KDM1AMAOAMAOBRCOR1MMP2
SCHEMBL16946758 0.72 POLB (0.59) KDM1AMAOAMAOBRCOR1TP53

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
EP-1656357-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-17 EP disclosed
WO-2005005399-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed