SCHEMBL7435873

SCHEMBL7435873

COc1ccc(/C=C/c2ccncc2)c2cc(C3CCCC3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE4D Q08499 5/20 0.43
PDE4B Q07343 2/20 0.43
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL7427089 1.00 MAPT (0.51) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723172 0.80 MAPT (0.56) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723162 0.80 MAPT (0.56) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL6953461 0.80 PDE4D (0.43) LMNACYP1B1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7439473 0.79 PDE4D (0.43) MAPTLMNASMN1; SMN2ALDH1A1PDE4D
SCHEMBL7439466 0.79 PDE4D (0.43) MAPTLMNASMN1; SMN2ALDH1A1PDE4D
SCHEMBL7439470 0.79 PDE4D (0.43) MAPTLMNASMN1; SMN2ALDH1A1PDE4D
SCHEMBL7435793 0.78 MAPT (0.60) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL7435790 0.78 MAPT (0.60) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL7444318 0.76 PDE4D (0.46) PDE4DPDE4BPDE4A

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-0819688-A1 4-substituted benzofuranes Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-01-21 EP disclosed