SCHEMBL6932303

SCHEMBL6932303

CCc1cc(Sc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.39
SLC6A4 P31645 3/20 0.38
SLC9A1 P19634 5/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE7A Q13946 1/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6935058 0.88 MAPT (0.41) MAPTLMNAHTTSLC6A4SLC9A1
SCHEMBL6932306 0.87 SLC9A1 (0.40) SLC9A1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL6935937 0.86 SLC6A4 (0.40) MAPTSLC6A4SLC9A1POLBL3MBTL1
SCHEMBL6933378 0.85 LMNA (0.46) MAPTLMNASLC6A4SLC9A1POLB
SCHEMBL8796619 0.85 PDE7A (0.50) MAPTLMNASLC6A4SLC9A1POLB
SCHEMBL6930504 0.83 MAPT (0.38) MAPTLMNAHTTSLC6A4SLC9A1
SCHEMBL6938587 0.83 SLC6A2 (0.41) MAPTLMNAHTTSLC6A4SLC9A1
SCHEMBL6937932 0.81
SCHEMBL6937447 0.80 SLC9A1 (0.39) SLC9A1POLB
SCHEMBL6935074 0.79 SLC6A2 (0.42) MAPTLMNAHTTSLC6A4SLC9A1

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-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed