SCHEMBL20855342

SCHEMBL20855342

Cc1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.73
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
PDE7A Q13946 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 3/20 0.51
MAPK1 P28482 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 4/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR1I2 O75469 1/20 0.45
TTR P02766 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL3654191 0.89 PDE7A (0.63) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL17428655 0.86 S1PR4 (0.59) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL9687621 0.86 TSHR (0.64) S1PR4LMNASMN1; SMN2TSHRMAPK1
SCHEMBL10756271 0.84 S1PR4 (0.56) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL18184327 0.83 S1PR4 (0.56) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL1340557 0.82 HSPB1 (0.56) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL10387432 0.82 PDE7A (0.71) S1PR4LMNASMN1; SMN2POLBPDE7A
SCHEMBL30392319 0.82 HPGD (0.73) S1PR4LMNAPDE7ATDP1TSHR
SCHEMBL640965 0.82 HPGD (0.73) S1PR4LMNAPDE7ATDP1TSHR
SCHEMBL4965836 0.81 MAPK1 (0.62) S1PR4LMNASMN1; SMN2POLBPDE7A

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
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed