SCHEMBL7749941

SCHEMBL7749941

Cc1ccc(-c2nn[nH]c2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NPBWR1 P48145 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPRT1 P00492 1/20 0.36
GAA P10253 1/20 0.36
STAT3 P40763 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
SCHEMBL1260158 0.83 MAPT (0.45) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL2890302 0.78
SCHEMBL9018940 0.75 TSHR (0.36) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7749946 0.74 HSD17B10 (0.41) HSD17B10LMNAMEN1KMT2ANPC1
SCHEMBL20915705 0.73 XDH (0.49) ACHEHSD17B10LMNAMEN1KMT2A
SCHEMBL5601853 0.72 MAPT (0.44) HSD17B10LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5281912 0.70
SCHEMBL29244333 0.69 ALPL (0.42) ACHELMNAPOLBMEN1KMT2A
SCHEMBL2918159 0.69 SMN1; SMN2 (0.43) ACHELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6065101 0.69 MEN1 (0.42) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1

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
WO-2001042149-A1 METHOD OF INHIBITING CORROSION OF YELLOW METAL SURFACES IN AQUEOUS SYSTEMS NALCO CHEMICAL COMPANY (US) 2001-06-14 WO claimed
US-4184991-A TREATING WATER WITH A BENZOTRIAZOLE AND AN ACRYLIC ESTER POLYMER ZIMMITE CORPORATION (US) 1980-01-22 US claimed
CN-117980273-A Solid phosphorus-free scale and corrosion inhibitor composition for cooling water treatment 埃科莱布美国股份有限公司 2024-05-03 CN disclosed
WO-2001042149-A1 METHOD OF INHIBITING CORROSION OF YELLOW METAL SURFACES IN AQUEOUS SYSTEMS NALCO CHEMICAL COMPANY (US) 2001-06-14 WO disclosed
US-4184991-A TREATING WATER WITH A BENZOTRIAZOLE AND AN ACRYLIC ESTER POLYMER ZIMMITE CORPORATION (US) 1980-01-22 US disclosed