SCHEMBL6546295

SCHEMBL6546295

CCCNC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2cc[n+]([O-])cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3CD O00329 2/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
XIAP P98170 3/20 0.39
DHODH Q02127 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PPARD Q03181 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6545775 0.92 PIK3CD (0.49) MEN1KMT2ANPC1RAB9APIK3CD
SCHEMBL6546335 0.91 NPC1 (0.43) MEN1KMT2ANPC1RAB9APIK3CD
SCHEMBL6546199 0.88 MEN1 (0.52) MEN1KMT2ANPC1RAB9APIK3CD
SCHEMBL6546041 0.86 ALDH1A1 (0.47) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL6545876 0.86 MAPT (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6545768 0.86 RORC (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6545796 0.85 MAPT (0.57) MEN1KMT2APIK3CDMAPTLMNA
SCHEMBL6546891 0.83 ADORA3 (0.46) NPC1RAB9APIK3CDMAPTLMNA
SCHEMBL6547147 0.83 ABL1 (0.43) MEN1KMT2ANPC1RAB9APIK3CD
SCHEMBL6546786 0.83 XIAP (0.50) MEN1KMT2APIK3CDMAPTLMNA

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
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed