SCHEMBL5013393

SCHEMBL5013393

Nc1ccc(Oc2ccc(S(=O)(=O)O)c(Oc3ccc(N)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MITF O75030 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
PARP10 Q53GL7 1/20 0.43
MAOA P21397 2/20 0.41
NT5E P21589 1/20 0.41
SLC7A11 Q9UPY5 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL3042240 0.86 MAOB (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2120389 0.81 RAPGEF4 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11311935 0.81 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28370559 0.81 NCOA1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL7555706 0.80 RAPGEF4 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL7554725 0.80 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31357477 0.80 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2119665 0.80 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31357476 0.80 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8773059 0.80 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US claimed
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US disclosed