SCHEMBL10693353

SCHEMBL10693353

O=C(O)C(COc1ccccc1)n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CYP19A1 P11511 2/20 0.44
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 2/20 0.42
CYP26A1 O43174 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL12841481 0.78 MAPT (0.72) MAPTCYP19A1POLBPPARGCYP1A2
SCHEMBL11181063 0.76 MAPT (0.65) MAPTCYP19A1CYP26A1CYP1A2CYP3A4
SCHEMBL28384165 0.76 MAPT (0.44) MAPTCYP19A1HPGDPPARAKDM4E
SCHEMBL10838717 0.75 CYP19A1 (0.49) MAPTCYP19A1POLBHPGDCYP26A1
SCHEMBL10928863 0.75 CYP3A4 (0.54) MAPTCYP19A1POLBCYP26A1CYP1A2
SCHEMBL10568398 0.74 MAPT (0.62) MAPTCYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL10664398 0.72 MAPT (0.60) MAPTCYP19A1PPARGCYP26A1CYP1A2
SCHEMBL10664395 0.72 MAPT (0.60) MAPTCYP19A1PPARGCYP26A1CYP1A2
SCHEMBL10876276 0.72 CYP3A4 (0.46) MAPTCYP19A1POLBCYP3A4ALDH1A1
SCHEMBL5440264 0.72 MAPT (0.49) MAPTCYP19A1PPARGCYP26A1CYP1A2

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
US-4743291-A Herbicidal aryl triazolinones FMC CORPORATION (US) 1988-05-10 US disclosed