SCHEMBL30688745

SCHEMBL30688745

Fc1ccc2c(c1)oc1c(-c3ccccn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ALOX5 P09917 2/20 0.40
GRM5 P41594 3/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
METAP1 P53582 2/20 0.38
HSD17B10 Q99714 2/20 0.38
METAP2 P50579 1/20 0.38
CBFB Q13951 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL21799299 1.00 CASP6 (0.41) CASP6JAK2JAK1TYK2JAK3
SCHEMBL29505089 0.86 JAK2 (0.37) CASP6JAK2JAK1TYK2JAK3
SCHEMBL24425927 0.84 CCR1 (0.39) ALOX5PRKDCMAOBCDC25ACDC25C
SCHEMBL483218 0.84 ALOX5 (0.50) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL29496934 0.84 ALOX5 (0.50) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL26083472 0.83 NPC1 (0.51) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL31406850 0.83 AHR (0.51) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL22402331 0.82 JAK2 (0.42) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL483866 0.82 ALOX5 (0.49) JAK2JAK1TYK2JAK3ALOX5
SCHEMBL30531494 0.82 ALOX5 (0.49) JAK2JAK1TYK2JAK3ALOX5

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
CN-117447526-A Containing fluorine-substituted metal complexes 北京夏禾科技有限公司 2024-01-26 CN disclosed
CN-110903321-B Containing fluorine-substituted metal complexes 北京夏禾科技有限公司 2023-12-12 CN disclosed