SCHEMBL9030367

SCHEMBL9030367

CCOC(=O)C(O)c1cc(Cl)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KAT2B Q92831 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.35
LPO P22079 2/20 0.34
PIN1 Q13526 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL10817236 0.79 ALDH1A1 (0.38) BAZ2BBAZ2ALMNAL3MBTL1KDM4E
SCHEMBL9030971 0.70 BAZ2B (0.43) BAZ2BBAZ2ALMNAL3MBTL1KDM4E
SCHEMBL9029575 0.70 BAZ2B (0.43) BAZ2BBAZ2ALMNAL3MBTL1NPSR1
SCHEMBL2798571 0.68 CA12 (0.48) LMNAL3MBTL1NPSR1MAPTTDP1
SCHEMBL28825411 0.67 MAPT (0.44) NPSR1MAPTCASP1MEN1KMT2A
SCHEMBL25409627 0.66 CYP3A4 (0.42) LMNAL3MBTL1HPGDSMN1; SMN2CASP1
SCHEMBL11104138 0.66 KMT2A (0.49) LMNAL3MBTL1NPSR1MAPK1KDM4E
SCHEMBL16797527 0.66 KMT2A (0.46) LMNAL3MBTL1MAPK1KDM4EMAPT
SCHEMBL23214661 0.65 CASP1 (0.42) LMNAKDM4EHPGDSMN1; SMN2CASP1
SCHEMBL11831054 0.65 MAPT (0.51) LMNAMAPTTDP1SMN1; SMN2CYP1A2

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
EP-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed