SCHEMBL7511375

SCHEMBL7511375

COC(=O)C1Cc2ccc([N+](=O)[O-])cc2C(C(=O)CCl)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
PNMT P11086 7/20 0.37
ADRA2A P08913 4/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7442659 0.75 CACNA1C (0.41) MAPTALDH1A1L3MBTL1CHRNB2CHRNB4
SCHEMBL7436130 0.75 CACNA1C (0.41) MAPTALDH1A1L3MBTL1CHRNB2CHRNB4
SCHEMBL13224204 0.74 MAPT (0.47) MAPTALDH1A1PNMTADRA2AADRA2B
SCHEMBL3417137 0.74 MAPT (0.47) MAPTALDH1A1PNMTADRA2AADRA2B
SCHEMBL6799096 0.74 MAPT (0.49) MAPTALDH1A1L3MBTL1CHRNB2CHRNB4
SCHEMBL7432582 0.74 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1CHRNB2CHRNB4
SCHEMBL3604041 0.72 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1PNMTADRA2A
SCHEMBL1202143 0.72 PNMT (0.61) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL2081344 0.71 PNMT (0.60) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL2081340 0.71 PNMT (0.60) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed
EP-0861250-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE Astra Aktiebolag (SE) 1998-09-02 EP disclosed
WO-1997017344-A1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRA AKTIEBOLAG (SE) 1997-05-15 WO disclosed