SCHEMBL7435790

SCHEMBL7435790

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 2/20 0.60
CYP1A1 P04798 5/20 0.51
CYP1B1 Q16678 5/20 0.51
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 4/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL7435793 1.00 MAPT (0.60) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723162 0.82 MAPT (0.56) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723172 0.82 MAPT (0.56) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723270 0.80 MAPT (0.60) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL5723273 0.80 MAPT (0.60) MAPTLMNACYP1A1CYP1B1HPGD
Hydrochloric Acid SCHEMBL5723058 0.79 MAPT (0.58) MAPTLMNACYP1A1CYP1B1HPGD
Hydrochloric Acid SCHEMBL5723047 0.79 MAPT (0.58) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL7427089 0.78 MAPT (0.51) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL7435873 0.78 MAPT (0.51) MAPTLMNACYP1A1CYP1B1HPGD
SCHEMBL6950787 0.77 ALDH1A1 (0.42) MAPTLMNAHPGDALDH1A1KDM4E

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