SCHEMBL28544922

SCHEMBL28544922

Cc1noc2cc(Oc3ccc(Cl)cc3Cl)c([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.47
BRD4 O60885 5/20 0.45
LMNA P02545 5/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
PDE7A Q13946 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
SCHEMBL28546442 0.84 S1PR4 (0.42) S1PR4LMNATDP1SMN1; SMN2POLB
SCHEMBL28912013 0.77 CA12 (0.46) BRD4LMNAMAPTMAPK1TSHR
SCHEMBL28550968 0.76 BRD4 (0.38) BRD4LMNATDP1MAPT
SCHEMBL3654191 0.76 PDE7A (0.63) S1PR4LMNATDP1SMN1; SMN2POLB
SCHEMBL20855342 0.75 S1PR4 (0.73) S1PR4LMNATDP1SMN1; SMN2POLB
SCHEMBL10489722 0.74 LMNA (0.53) S1PR4BRD4LMNATDP1SMN1; SMN2
SCHEMBL4965836 0.74 MAPK1 (0.62) S1PR4LMNATDP1SMN1; SMN2POLB
SCHEMBL28541638 0.74 HPGD (0.43) LMNATDP1SMN1; SMN2POLBHPGD
SCHEMBL10756271 0.73 S1PR4 (0.56) S1PR4LMNATDP1SMN1; SMN2POLB
SCHEMBL16295426 0.70 SLC6A2 (0.52) S1PR4LMNATDP1SMN1; SMN2POLB

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-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed