SCHEMBL7976919

SCHEMBL7976919

CC(=O)c1nc2c(OCc3ccccc3)cccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
BRD4 O60885 1/20 0.45
SRD5A2 P31213 2/20 0.45
SRD5A1 P18405 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BDKRB2 P30411 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5173716 0.80 MAPT (0.53) BRD4ADORA3ADORA2AADORA1MAPT
SCHEMBL7979040 0.80 ADORA1 (0.46) BRD4ADORA3ADORA2AADORA1MAPT
SCHEMBL21555490 0.79 ADORA1 (0.53) BRD4ADORA3ADORA2AADORA1MAPT
SCHEMBL7006553 0.78 RAB9A (0.48) BRD4SRD5A2SRD5A1ADORA3ADORA2A
SCHEMBL7978844 0.78 RHEB (0.49) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL7975540 0.78 MAPT (0.50) BRD4ADORA3ADORA2AADORA1MAPT
SCHEMBL7975777 0.78 ADORA1 (0.46) BRD4ADORA3ADORA2AADORA1MAPT
SCHEMBL7978839 0.78 LMNA (0.45) KDM4EPOLBBRD4SRD5A2SRD5A1
SCHEMBL7978821 0.77 RAB9A (0.53) BRD4SRD5A2SRD5A1ADORA3ADORA2A
SCHEMBL7981497 0.77 HTR1A (0.47) BRD4ADORA3ADORA2AADORA1ALDH1A1

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