SCHEMBL8562177

SCHEMBL8562177

CC(=NNc1ccc(C(F)(F)F)cc1)c1cncnc1C(F)(F)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPT P10636 5/20 0.35
CYP19A1 P11511 1/20 0.35
SYK P43405 1/20 0.34
GALK1 P51570 1/20 0.34
GFER P55789 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL8568667 0.71
SCHEMBL8562182 0.71 ALDH1A1 (0.40) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL8558082 0.68 ALDH1A1 (0.34) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL6715550 0.68 KMT2A (0.67) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL6715545 0.68 KMT2A (0.67) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL14399934 0.68 P2RX1 (0.45) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL14370934 0.67 GAA (0.46) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL8566193 0.66 SYK (0.34) KDM4ESYK
SCHEMBL14399964 0.65 CFTR (0.47) ALDH1A1RAB9ALMNAGAAHTT
SCHEMBL23928548 0.65 ALDH1A1 (0.63) ALDH1A1RAB9ALMNAGAAHTT

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-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed