SCHEMBL9688702

SCHEMBL9688702

Fc1ccc2onc(CBr)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.38
HTR3A P46098 2/20 0.38
NQO1 P15559 1/20 0.34
ACHE P22303 2/20 0.33
SCD O00767 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOB P27338 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL2774476 0.86 ACHE (0.42) HTR3AACHEDRD2SLC6A4
SCHEMBL13180387 0.82 MAPT (0.44) MAPTTDP1LMNAHTR3ASCD
SCHEMBL23218521 0.80 MAPT (0.41) MAPTLMNAACHECA12CA1
SCHEMBL29591789 0.80 MAPT (0.41) MAPTLMNAACHECA12CA1
SCHEMBL9689456 0.79 MAPT (0.62) MAPTTDP1LMNAACHETP53
SCHEMBL8276503 0.79 FAAH (0.42) MAPTLMNAHTR3ATP53
SCHEMBL9512394 0.77 MAPT (0.68) MAPTTDP1LMNATP53
SCHEMBL7307801 0.77 LMNA (0.62) MAPTTDP1LMNAHTR3ANQO1
SCHEMBL2615284 0.76 LMNA (0.45) MAPTTDP1LMNAHTR3ACA12
SCHEMBL7315256 0.76 LMNA (0.45) MAPTTDP1LMNAHTR3ANQO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed
EP-0298921-B1 1,2-BENZISOXAZOLES AND 1,2-BENZISOTHIAZOLES CIBA-GEIGY AG (CH) 1992-12-23 EP disclosed
US-4859691-A Certain 1,2-benzisoxazole derivatives CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
EP-0298921-A1 1,2-Benzisoxazoles and 1,2-benzisothiazoles CIBA-GEIGY AG (CH) 1989-01-11 EP disclosed