SCHEMBL7976948

SCHEMBL7976948

COc1ccc(COc2cccc([N+](=O)[O-])c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 3/20 0.48
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
CYP19A1 P11511 2/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ABCB1 P08183 2/20 0.45
DCTPP1 Q9H773 1/20 0.45
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1137833 0.85 HTR1A (0.53) NPC1RAB9AKMT2AHTR1AADRA1D
SCHEMBL29502564 0.85 HTR1A (0.53) NPC1RAB9AKMT2AHTR1AADRA1D
SCHEMBL20876320 0.84 NPC1 (0.54) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL2420234 0.81 NPC1 (0.53) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL4947178 0.81 SMN1; SMN2 (0.51) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL4946688 0.80 SMN1; SMN2 (0.50) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL30549816 0.79 ALDH1A1 (0.51) NPC1SMN1; SMN2RAB9AKMT2ATLR4
SCHEMBL11746120 0.79 CYP19A1 (0.48) NPC1SMN1; SMN2RAB9AKMT2AHTR1A
SCHEMBL7978920 0.79 NPC1 (0.61) NPC1RAB9AHTR1AADRA1DADRA1A
SCHEMBL215837 0.78 TDP1 (0.67) NPC1SMN1; SMN2RAB9AKMT2ACYP19A1

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