SCHEMBL28802257

SCHEMBL28802257

C=Cc1c(F)ccnc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ASPH Q12797 6/20 0.49
KDM8 Q8N371 6/20 0.49
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
KMO O15229 3/20 0.33
KMT2A Q03164 1/20 0.33
MYC P01106 1/20 0.33
KDM6B O15054 1/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL27883713 0.80 L3MBTL1 (0.42) KDM4EASPHKDM8ALDH1A1ALOX15
SCHEMBL2148123 0.80 KDM4E (0.42) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL6566964 0.79 KDM4E (0.41) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL644769 0.75 KDM4E (0.68) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL10373429 0.73 KDM4E (0.60) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28048186 0.73 KDM4E (0.55) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28337894 0.72 KDM4E (0.58) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28478885 0.72 KDM4E (0.53) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28177119 0.72 KDM4E (0.53) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28042315 0.71 KDM4E (0.49) KDM4EASPHKDM8MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102786480-A 2-substituted-6-amino-5-alkyl, alkenyl or alkynyl-4-pyrimidinecarboxylic acids and 6-substituted-4-amino-3- alkyl, alkenyl or alkynyl picolinic acids and their use as herbicides DOW AGROSCIENCES LLC 2012-11-21 CN disclosed