SCHEMBL7965248

SCHEMBL7965248

CC(C)c1nc2c(O)cccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
PIK3CB P42338 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
ACHE P22303 1/20 0.38
METAP2 P50579 2/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 2/20 0.35
MMP2 P08253 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL6757189 0.81 TLR8 (0.41) TLR8KDM4ELMNAKMT2AALDH1A1
SCHEMBL22962156 0.79 NR1H2 (0.45) KDM4ELMNAMAPTRAB9APIK3C2B
SCHEMBL22894840 0.79 HTR2A (0.36) KDM4ELMNAKMT2AGAACYP2D6
SCHEMBL6654439 0.78 TLR8 (0.46) TLR8PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL24910306 0.77 NR1H2 (0.47) ALDH1A1
SCHEMBL3194071 0.77 CYP1A2 (0.49) TLR8ACHEMETAP2KDM4ELMNA
SCHEMBL21555491 0.75 TLR8 (0.59) TLR8ACHEMETAP2KDM4EMAPT
SCHEMBL7965466 0.74 TLR8 (0.43) TLR8ACHEMETAP2KDM4ELMNA
SCHEMBL7977569 0.72 KDM4E (0.42) TLR8ACHEMETAP2KDM4ELMNA
SCHEMBL7011080 0.72 ACHE (0.42) TLR8ACHEMETAP2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed