SCHEMBL4650487

SCHEMBL4650487

Nc1ccc(C=Cc2ccc(N)c(OC(=O)O)c2)cc1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL9632531 0.79 TUBB4A (0.38) APPALDH1A1MAPK1TUBB4ATUBB
SCHEMBL1954453 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7754586 0.79 MAPT (0.48) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL376800 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL9632158 0.78 LMNA (0.37) APPALDH1A1MAPK1TUBB4ATUBB
SCHEMBL1551903 0.77 KDM4E (0.44) KDM4EALDH1A1MAPK1PKM
SCHEMBL13929946 0.76 TPMT (0.34) APPKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4650355 0.74 ALDH1A1 (0.56) KDM4EALDH1A1HPGDALOX15SMN1; SMN2
SCHEMBL10706035 0.73 MAPT (0.43) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL8244593 0.73 ALDH1A1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606013-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1997-10-22 EP claimed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed