SCHEMBL6969024

SCHEMBL6969024

N=C1CCCCC(CCNS(=O)(=O)Cc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6973440 0.84 MAPK1 (0.47) ALDH1A1CA1CA2SMN1; SMN2TSHR
SCHEMBL6968385 0.77 POLB (0.41) POLB
SCHEMBL6969560 0.75 SLC18A3 (0.40) POLB
SCHEMBL6975751 0.74 KMT2A (0.61) ALDH1A1POLBLMNA
SCHEMBL6971463 0.74 POLB (0.56) POLB
SCHEMBL6975587 0.74 SLC18A3 (0.39) POLB
Hydrochloric Acid SCHEMBL6980655 0.74 SLC18A3 (0.39)
Hydrochloric Acid SCHEMBL6968507 0.73 POLB (0.54) POLB
SCHEMBL27404444 0.73 SLC18A2 (0.41)
SCHEMBL6966779 0.72 OPRK1 (0.34) ALDH1A1POLBSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed