SCHEMBL9212868

SCHEMBL9212868

CC(N=C(NC#N)c1ccncc1)C(O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 2/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
MMP13 P45452 1/20 0.32

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
SCHEMBL9211877 0.80 ALDH1A1 (0.39) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9217290 0.79 MAPT (0.40) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9213466 0.71 MAPT (0.43) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9218192 0.68 RAB9A (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL9600959 0.65 CYP2C9 (0.38) KMT2AMAPTMEN1CYP3A4CYP2C9
SCHEMBL9211867 0.65 CYP2C9 (0.38) KMT2AMAPTMEN1CYP3A4CYP2C9
SCHEMBL11100334 0.64 KMT2A (0.55) L3MBTL1ALDH1A1KMT2AMAPTMEN1
Nitric Acid SCHEMBL9218571 0.64 ALDH1A1 (0.42) L3MBTL1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9209412 0.63 NAMPT (0.38) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9596401 0.62 MAPT (0.47) L3MBTL1ALDH1A1KMT2AMAPTMEN1

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 7 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-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US 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