SCHEMBL9217290

SCHEMBL9217290

N#CNC(=NCC(O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
MMP13 P45452 1/20 0.35
POLB P06746 2/20 0.34
MMP14 P50281 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9218192 0.88 RAB9A (0.46) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL9213466 0.80 MAPT (0.43) MAPTL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL9212868 0.79 L3MBTL1 (0.38) MAPTL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL9596789 0.73 KMT2A (0.38) MAPTL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL9211867 0.72 CYP2C9 (0.38) MAPTKMT2AMEN1
SCHEMBL9600959 0.72 CYP2C9 (0.38) MAPTKMT2AMEN1
SCHEMBL9596401 0.72 MAPT (0.47) MAPTL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL9211877 0.71 ALDH1A1 (0.39) MAPTL3MBTL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL9209412 0.70 NAMPT (0.38) KMT2AMEN1
SCHEMBL9218108 0.69 RAB9A (0.46) MAPTALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed