SCHEMBL5069247

SCHEMBL5069247

Nc1ccc(C(=O)OC(=O)c2ccc(N)cc2C(=O)OC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAOA P21397 1/20 0.46
GAA P10253 4/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40

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
SCHEMBL3357496 0.87 MAPT (0.50) CYP3A4LMNACYP1A2MAOAGAA
SCHEMBL248077 0.84 LMNA (0.59) CYP3A4LMNACYP1A2MAOAGAA
SCHEMBL28751385 0.83 GAA (0.58) CYP3A4LMNACYP1A2MAOAGAA
SCHEMBL6451827 0.81 KDM4E (0.57) CYP3A4LMNACYP1A2GAACYP2C9
SCHEMBL1417358 0.78 PBRM1 (0.52) CYP3A4LMNACYP1A2MAOAGAA
SCHEMBL248078 0.76 NPC1 (0.56) CYP3A4LMNACYP1A2MAOAGAA
SCHEMBL19228562 0.76 GAA (0.48) CYP3A4LMNAMAOAGAACYP2C9
SCHEMBL1259980 0.76 MAPT (0.65) CYP3A4LMNACYP1A2GAACYP2C9
SCHEMBL596784 0.76 KMT2A (0.56) CYP3A4LMNACYP1A2GAACYP2C9
SCHEMBL8716262 0.76 MAPT (0.54) CYP3A4LMNACYP1A2MAOAGAA

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-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed