SCHEMBL5163410

SCHEMBL5163410

C=Cn1ccnc1C.CCOS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL5164997 0.85 LMNA (0.38) LMNATDP1KMT2ACYP3A4CYP2C9
SCHEMBL3008710 0.79 KMT2A (0.38) KDM4ETSHRHSD17B10LMNAKMT2A
SCHEMBL18264169 0.78 KMT2A (0.44) KDM4ETSHRHSD17B10KMT2AALDH1A1
SCHEMBL36575 0.78
Hydrochloric Acid SCHEMBL1007846 0.76
Acrylic Acid Methyl Ester SCHEMBL15637879 0.75 TDP1 (0.37) KDM4ELMNATDP1KMT2ACYP3A4
SCHEMBL21173965 0.73 ALDH1A1 (0.67) KDM4ETSHRLMNAKMT2ACYP1A2
Acrylamide SCHEMBL11786592 0.72 LMNA (0.40) TSHRLMNATDP1KMT2ACYP3A4
SCHEMBL28815407 0.71 LMNA (0.44) LMNATDP1KMT2ACYP3A4CYP2C9
SCHEMBL9929077 0.69 FDPS (0.41) TSHRKMT2AALDH1A1CA12CA1

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
EP-1259672-B1 CREASE RESISTANT FINISHING OF CELLULOSE-CONTAINING TEXTILES, AND LAUNDRY POST-TREATMENT AGENTS BASF AG (DE) 2007-03-21 EP disclosed
EP-1259672-A1 CREASE RESISTANT FINISHING OF CELLULOSE-CONTAINING TEXTILES, AND LAUNDRY POST-TREATMENT AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-27 EP disclosed
WO-2001063036-A1 CREASE RESISTANT FINISHING OF CELLULOSE-CONTAINING TEXTILES, AND LAUNDRY POST-TREATMENT AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-08-30 WO disclosed