SCHEMBL6545903

SCHEMBL6545903

Oc1ccnnc1-c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.41
DPP4 P27487 1/20 0.40
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5266212 0.78 DPP4 (0.44) ALDH1A1KDM4EGLASMN1; SMN2HPGD
SCHEMBL28056374 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL5791976 0.76 SMN1; SMN2 (0.42) ALDH1A1KDM4EGLASMN1; SMN2HPGD
SCHEMBL5005152 0.74 NPC1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL28056343 0.73 NR4A2 (0.45) ALDH1A1KDM4EDPP4HSD17B10MAPT
SCHEMBL11775153 0.72 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2417817 0.69 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL29115014 0.68 IDO1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL10765944 0.67 IDO1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL27646280 0.67 CYP2A6 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1

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-1372395-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES Bayer CropScience AG (DE) 2004-01-02 EP claimed
CN-1430471-A Selective heteroaryloxy-acetamide-based herbicides BAYER CORPSCIENCE GMBH (DE) 2003-07-16 CN claimed
WO-2002071845-A1 HERBICIDES BASED ON SUBSTITUTED ARYL KETONES BAYER CROPSCIENCE AG (DE) 2002-09-19 WO claimed
CN-107207546-A Ligand component, correlated response product, reaction product, the hydrosilylation catalysts comprising the ligand component and the hydrosilylation curable compositions of activation, and for preparing their correlation technique 美国道康宁公司 2017-09-26 CN disclosed
CN-100433978-C Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER AG (DE) 2008-11-19 CN disclosed
CN-1494827-A Weeding composition 辛根塔参与股份公司 2004-05-12 CN disclosed
CN-1430471-A Selective heteroaryloxy-acetamide-based herbicides BAYER CORPSCIENCE GMBH (DE) 2003-07-16 CN disclosed