SCHEMBL7965582

SCHEMBL7965582

Cc1nc2c(OCc3ccccc3)cccc2n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.55
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 1/20 0.49
BRD4 O60885 2/20 0.47
CSF1R P07333 1/20 0.46
DCTPP1 Q9H773 2/20 0.46
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GALR3 O60755 2/20 0.45
NR2F2 P24468 2/20 0.45
RAB9A P51151 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL7981641 0.89 MAPT (0.50) TNFMAPTMAPK1TDP1L3MBTL1
SCHEMBL3166559 0.85 GSK3B (0.46) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL5173716 0.83 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL30501926 0.82 TNF (0.47) TNFMAPTL3MBTL1HTR6BRD4
SCHEMBL18372654 0.82 TNF (0.47) TNFMAPTL3MBTL1HTR6BRD4
SCHEMBL1701199 0.77 TNF (0.60) TNFMAPTL3MBTL1HTR6BRD4
SCHEMBL7975722 0.77 TNF (0.60) TNFMAPTTDP1L3MBTL1HTR6
SCHEMBL28076729 0.76 TNF (0.59) TNFMAPTTDP1HTR6BRD4
SCHEMBL4421421 0.76 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL30501981 0.76 BRD4 (0.48) TNFBRD4CSF1RDCTPP1RAB9A

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