SCHEMBL28052984

SCHEMBL28052984

COC(=O)c1cc(N=Nc2ccccc2)ccc1OC(C)=O.O=S(=O)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
RAB9A P51151 5/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.43
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
PTGS1 P23219 3/20 0.41
HPGD P15428 3/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 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
SCHEMBL11743625 0.88 PTGS1 (0.42) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL11743616 0.88 PTGS1 (0.42) MAPTRAB9ACASP3SENP8SENP7
Potassium Ion SCHEMBL11744394 0.83 PTGS1 (0.42) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL11744400 0.83 PHLPP2 (0.49) MAPTRAB9ACASP3SENP8SENP7
Potassium Ion SCHEMBL11744384 0.83 PTGS1 (0.42) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL11743145 0.78 MEN1 (0.62) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL11743138 0.78 MEN1 (0.62) MAPTKDM4EHPGDALDH1A1TSHR
SCHEMBL10334138 0.77 CA1 (0.58) RAB9AL3MBTL1KDM4EHSD17B10PTGS1
SCHEMBL10334139 0.77 CA1 (0.58) RAB9AL3MBTL1KDM4EHSD17B10PTGS1
Dimethyl Phthalate SCHEMBL28528385 0.72 MAPT (0.70) MAPTRAB9ACASP3SENP8SENP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105367489-A Method for synthesizing salazosulfapyridine using pyridazol as raw material SUZHOU TONGHUA PHARMACEUTICAL CO LTD 2016-03-02 CN disclosed
CN-105348184-A Preparation method for sulfasalazine SUZHOU TONGHUA MEDICINE CO LTD 2016-02-24 CN disclosed
CN-105330599-A Method for synthesizing salazosulfapyridine by utilizing 2-aminopyridine as raw material SUZHOU TONGHUA PHARMACEUTICAL CO LTD 2016-02-17 CN disclosed