SCHEMBL6935504

SCHEMBL6935504

Cc1cc(Sc2ccc(Br)cc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
BCL2L1 Q07817 1/20 0.41
PLAU P00749 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6932470 0.91 ALDH1A1 (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6932140 0.89 BCL2L1 (0.53) ALDH1A1LMNAPOLBBCL2L1
SCHEMBL6938107 0.87 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL27356720 0.86 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6937291 0.86 MEN1 (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6936990 0.83 SLC9A1 (0.42) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6932986 0.83 PDE7A (0.52) MAPTLMNAPOLB
SCHEMBL6936874 0.82 PDE7A (0.47) MAPTSMN1; SMN2LMNABCL2L1
SCHEMBL6934463 0.81 SLC6A2 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL6938838 0.79 MAPT (0.40) MAPTLMNAHTT

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