SCHEMBL8097370

SCHEMBL8097370

CCc1ncnc(OCC(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 2/20 0.41
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC3 O15438 1/20 0.40
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GSTA1 P08263 1/20 0.40
GSTP1 P09211 1/20 0.40
MAPT P10636 1/20 0.40
HSPD1 P10809 1/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
MAP2K6 P52564 1/20 0.40
HSPE1 P61604 1/20 0.40
GSTO1 P78417 1/20 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
SCHEMBL8107127 0.83 KDM4E (0.43) HTTALDH1A1KMT2ANPSR1TSHR
Ammonia Solution, Strong SCHEMBL8602882 0.75 KDM4E (0.37) HTTALDH1A1TSHRLMNAMAPT
SCHEMBL11006012 0.73 KDM4E (0.47) MAP3K8HTTALDH1A1KMT2ATSHR
SCHEMBL13064098 0.72 SELE (0.35) POLB
SCHEMBL8310208 0.71 KDM4E (0.38) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL8602879 0.71 SCN4A (0.34) TSHRLMNACYP2C9
SCHEMBL1888799 0.69 KMT2A (0.46) MAP3K8HTTALDH1A1KMT2ANPSR1
SCHEMBL30828905 0.69 SELE (0.32)
SCHEMBL8718664 0.69 SELE (0.32)
SCHEMBL8746777 0.67 ACACB (0.36)

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-6090815-A Pyrimidinyloxyalkanoic amide derivatives and fungicides for agricultural and horticultural use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-07-18 US disclosed
EP-0940392-A1 PYRIMIDINYLOXYALKANOIC AMIDE DERIVATIVES AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE KumaiI Chemical Industry Co., Ltd. (JP) 1999-09-08 EP disclosed