SCHEMBL8843218

SCHEMBL8843218

O=C(CCc1nnn[nH]1)ONCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EPHX1 P07099 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALPL P05186 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
PPID Q08752 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MMP3 P08254 1/20 0.33
CYP11B1 P15538 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
SCHEMBL3959551 0.79 TDP1 (0.59) STING1TDP1EPHX1EPHX2KMT2A
SCHEMBL8843536 0.78 HDAC3 (0.43) TDP1CYP1A2ALPLCYP2C9TSHR
SCHEMBL21611670 0.77 STING1 (0.54) STING1TDP1EPHX1TSHRSMN1; SMN2
SCHEMBL15656106 0.74 MEN1 (0.53) STING1TDP1EPHX1TSHRSMN1; SMN2
SCHEMBL28239404 0.74 GAA (0.55) STING1TDP1EPHX1TSHRSMN1; SMN2
SCHEMBL8523258 0.73 MEN1 (0.62) SMN1; SMN2LMNAGAAEPHX2MEN1
SCHEMBL4811573 0.73 TSHR (0.41) CYP1A2CYP2C9TSHRMAPK1SMN1; SMN2
SCHEMBL26699105 0.73 STING1 (0.48) STING1TDP1EPHX1TSHRSMN1; SMN2
SCHEMBL16742500 0.72 CYP1A2 (0.53) TDP1CYP1A2ALPLCYP2C9TSHR
SCHEMBL23782476 0.72 GAA (0.53) TDP1GAAEPHX2MEN1KMT2A

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
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed