SCHEMBL28035576

SCHEMBL28035576

O=C(O)Cc1ncccc1NCC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
SHMT2 P34897 1/20 0.38
POLB P06746 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CXCL8 P10145 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
FTO Q9C0B1 1/20 0.33
CTSA P10619 2/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2372675 0.72 L3MBTL1 (0.49) KDM4EPOLBHTTTDP1ALDH1A1
SCHEMBL28035575 0.71 MKNK2 (0.39) KDM4EMAPTTDP1MKNK2ALDH1A1
SCHEMBL4535820 0.71 KDM4E (0.49) KDM4ECYP1A2MAPTNAPRTTDP1
SCHEMBL29781414 0.71 KDM4E (0.49) KDM4ECYP1A2MAPTNAPRTTDP1
SCHEMBL22553411 0.70 MAPT (0.41) KDM4ECYP1A2MAPTNAPRTTDP1
SCHEMBL17781115 0.70 BRD4 (0.41) KDM4EMAPTSHMT2POLBHTT
SCHEMBL11147053 0.69 KDM4E (0.65) KDM4ECYP1A2MAPTNAPRTTDP1
SCHEMBL21437758 0.69 ALDH1A1 (0.59) KDM4ECYP1A2MAPTNAPRTTDP1
SCHEMBL6932734 0.67 KDM4E (0.49) KDM4ECYP1A2MAPTSHMT2NAPRT
SCHEMBL2782918 0.67 KDM4E (0.62) KDM4ECYP1A2MAPTNAPRTTDP1

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
CN-102822178-B There is the pyrido thiazine of herbicide effect BASF SE (DE) 2015-10-21 CN disclosed
CN-102822178-A Pyridothiazines having herbicidal action BASF SE 2012-12-12 CN disclosed