SCHEMBL8496538

SCHEMBL8496538

COc1ccc2nc(-c3c(F)cccc3F)oc(=O)c2c1.COc1ccc2nc(-c3ccccc3F)oc(=O)c2c1.O=c1oc(-c2c(F)cccc2F)nc2cc(C(F)(F)F)ccc12.O=c1oc(-c2ccccc2F)nc2cc(F)c(F)cc12.O=c1oc(-c2ccco2)nc2cc(F)c(F)cc12.O=c1oc(-c2cccs2)nc2cc(F)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 2/20 0.49
▸ F3 P13726 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ C1R P00736 2/20 0.41
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ F2 P00734 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8495301 0.82 ALDH1A1 (0.50) F7F3KDM4EMAPTGAA
SCHEMBL8070379 0.72 KDM4E (0.75) KDM4EMAPTGAAHSD17B10MAPK1
SCHEMBL914361 0.72 C1R (0.74) F7F3KDM4EMAPTGAA
SCHEMBL914071 0.71 C1R (0.61) F7F3KDM4EMAPTGAA
SCHEMBL17554098 0.70 APEX1 (0.67) F7F3KDM4EMAPTGAA
SCHEMBL914239 0.70 KDM4E (0.67) F7F3KDM4EMAPTGAA
SCHEMBL8059761 0.70 MAPK1 (0.72) KDM4EMAPTGAAHSD17B10MAPK1
SCHEMBL915758 0.70 F7 (1.00) F7F3KDM4EMAPTHSD17B10
SCHEMBL914467 0.69 C1R (0.67) F7F3MAPTC1RKMT2A
SCHEMBL914657 0.68 F7 (0.81) F7F3KDM4EC1RALDH1A1

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
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 — — WO disclosed
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