SCHEMBL13619243

SCHEMBL13619243

O=P(O)(O)OCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
MAPT P10636 6/20 0.53
CYP3A4 P08684 3/20 0.53
AHR P35869 1/20 0.53
GPR84 Q9NQS5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 4/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 2/20 0.49
SLC6A2 P23975 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
MPO P05164 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47

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
SCHEMBL4317964 0.82 ALDH1A1 (0.54) MEN1KMT2AMAPTCYP3A4TDP1
SCHEMBL28389774 0.78 MAPT (0.58) MEN1KMT2AMAPTCYP3A4AHR
Phosphoric Acid SCHEMBL22235321 0.78 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL13915153 0.78 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL22235320 0.77 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL26480243 0.77 MEN1 (0.49) MEN1KMT2AMAPTCYP3A4ALDH1A1
SCHEMBL14015372 0.74 SLC22A6 (0.55) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL3227189 0.74 LMNA (0.60) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL10689820 0.74 MAPT (0.63) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL887095 0.74 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR

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-7615543-B2 Complexes with C-reactive protein (CRP) molecules; rheumatoid arthritis, juvenile chronic (rheumatoid) arthritis, ankylosing spondylitis, psoriatic arthritis, systemic vasculitis, polymyalgia rheumatica, Reiter's disease, Crohn's disease and familial Mediterranean fever PENTRAXIN THERAPEUTICS LIMITED (GB) 2009-11-10 US disclosed