SCHEMBL7981641

SCHEMBL7981641

CCn1c(C)nc2c(OCc3ccccc3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BRD4 O60885 2/20 0.47
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 2/20 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
SCHEMBL7965582 0.89 TNF (0.55) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL3166559 0.85 GSK3B (0.46) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL5173716 0.83 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL6079640 0.80 MAPK1 (0.46) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL4421421 0.76 MAPT (0.44) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL7975540 0.76 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL7978844 0.76 RHEB (0.49) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL16486566 0.75 TLR8 (0.70) ATP4AATP4BADORA3ADORA2AADORA1
SCHEMBL7981497 0.75 HTR1A (0.47) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL21555490 0.74 ADORA1 (0.53) MAPTMAPK1TDP1L3MBTL1BRD4

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