SCHEMBL28784244

SCHEMBL28784244

CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.45
DRD4 P21917 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
IDO1 P14902 1/20 0.41
PKM P14618 1/20 0.41
CHRNB2 P17787 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
SCHEMBL30697719 0.99 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL22695 0.99 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL22696 0.99 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL29586383 0.99 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL3066779 0.99 RAB9A (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
Methyl Alcohol SCHEMBL28193600 0.98 DRD4 (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
Pentachlorophenol SCHEMBL2229122 0.92 ALDH1A1 (0.43) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL8410122 0.92 IDO1 (0.47) RAB9AALDH1A1NPC1NFKB1NFKB2
Oxazole SCHEMBL28269124 0.89 ALDH1A1 (0.41) RAB9AALDH1A1NPC1NFKB1NFKB2
SCHEMBL10906795 0.89 RAB9A (0.46) RAB9AALDH1A1NPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105941398-B Herbicidal composition 石原产业株式会社 2019-07-26 CN disclosed
CN-105941398-A Herbicidal composition 石原产业株式会社 2016-09-21 CN disclosed
CN-101742905-B Herbicidal composition Ishihara Sangyo Kabushiki Kaisha Ltd. (JP) 2016-06-01 CN disclosed
CN-103224460-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA 2013-07-31 CN disclosed
CN-102036968-B Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2013-06-05 CN disclosed
CN-102036968-A Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2011-04-27 CN disclosed
CN-101742905-A Herbicidal composition ISHIHARA SANGYO KAISHA 2010-06-16 CN disclosed
CN-101573035-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA (JP) 2009-11-04 CN disclosed