SCHEMBL2126111

SCHEMBL2126111

Nc1ccc(Oc2ccc(-c3cc(Oc4ccc(N)cc4)ccc3S(=O)(=O)S(=O)(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29210282 0.77 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Sulfuric Acid SCHEMBL8642324 0.75 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Sulfuric Acid SCHEMBL8647113 0.73 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Sulfuric Acid SCHEMBL8644562 0.73 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Sulfuric Acid SCHEMBL8643168 0.72 NCOA1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5013393 0.72 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29210279 0.71 MAOB (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19470800 0.71 RAPGEF4 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Sulfuric Acid SCHEMBL8640969 0.71 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11311935 0.70 ALDH1A1 (0.48) 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
EP-2444434-B1 POLYUREA ELECTROLYTE AND PRODUCTION METHOD THEREFOR NISSAN MOTOR (JP) 2014-09-10 EP disclosed
EP-2444434-A1 POLYUREA ELECTROLYTE AND PRODUCTION METHOD THEREFOR Nissan Motor Co., Ltd. (JP) 2012-04-25 EP disclosed