SCHEMBL19320581

SCHEMBL19320581

O=S(O)Oc1cccc2c(Cc3cccc4ccccc34)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CETP P11597 1/20 0.42
ACP3 P15309 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CTRC Q99895 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
SCHEMBL8620189 0.84 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1TDP1CYP2C19
SCHEMBL8009306 0.82 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1TDP1CYP2C19
SCHEMBL19320580 0.81 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1TDP1CYP2C19
SCHEMBL599659 0.74 CYP2C19 (0.62) TDP1ACP3CYP3A4CYP2C19CTRC
SCHEMBL29490353 0.74 CYP2C19 (0.62) TDP1ACP3CYP3A4CYP2C19CTRC
SCHEMBL11328087 0.72 CYP2C19 (0.60) TDP1ACP3CYP3A4CYP2C19CTRC
SCHEMBL659516 0.72 CYP2C19 (0.60) TDP1ACP3CYP3A4CYP2C19CTRC
SCHEMBL659517 0.72 CYP2C19 (0.60) TDP1ACP3CYP3A4CYP2C19CTRC
Hydrogen Sulfide SCHEMBL11348128 0.72 CYP2C19 (0.60) TDP1ACP3CYP3A4CYP2C19CTRC
SCHEMBL11339937 0.72 CYP2C19 (0.60) TDP1ACP3CYP3A4CYP2C19CTRC

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
US-20170255103-A1 PATTERN TRIMMING METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-09-07 US disclosed
US-20170255102-A1 PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-09-07 US disclosed