SCHEMBL30901145

SCHEMBL30901145

O=S1(=O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.53
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
CYP2A6 P11509 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
WDR5 P61964 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DNMT1 P26358 1/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL1777121 1.00 GPR84 (0.53) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL1778091 0.74 CA12 (0.40) GPR84CA12CA9ALDH1A1CYP2A6
SCHEMBL12600566 0.74 ALDH1A1 (0.41) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL114546 0.72 CA12 (0.50) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL16772465 0.72 GPR84 (0.53) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL22664856 0.72 GPR84 (0.53) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL29448134 0.72 CA12 (0.50) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL30428179 0.72 GPR84 (0.53) GPR84CA12CA9ALDH1A1HSD17B10
SCHEMBL21034460 0.72 MEN1 (0.43) CA12CA9ALDH1A1HSD17B10CYP2A6
SCHEMBL888325 0.71 GPR84 (0.52) GPR84CA12CA9ALDH1A1HSD17B10

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-111689929-B Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2024-05-31 CN disclosed