SCHEMBL6803427

SCHEMBL6803427

[CH2]/C=C/Cc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
CYP3A4 P08684 3/20 0.58
MAPT P10636 3/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR2A P28223 5/20 0.56
HTR2C P28335 4/20 0.56
HTR6 P50406 4/20 0.56
CYP2D6 P10635 3/20 0.56
HTR1D P28221 3/20 0.56
HTR1B P28222 2/20 0.56
HTR7 P34969 2/20 0.56
MPO P05164 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
NFKB1 P19838 1/20 0.56
CTSK P43235 1/20 0.56
CYP2A13 Q16696 1/20 0.56

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
SCHEMBL6156912 1.00 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL9114333 0.83 HTR2A (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL9060407 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL17732259 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL11374725 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL6159296 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL8742359 0.82 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL17732258 0.82 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL547396 0.81 ALDH1A1 (0.65) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL10382799 0.81 MEN1 (0.67) MEN1KMT2ACYP3A4MAPTAHR

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
US-20040023882-A1 PTH derivatives resistant to skin proteases THERATECHNOLOGIES INC. (CA) 2004-02-05 US disclosed
WO-2003097690-A2 PTH DERIVATIVES RESISTANT TO SKIN PROTEASES THERATECHNOLOGIES INC. (CA) 2003-11-27 WO disclosed