SCHEMBL7541176

SCHEMBL7541176

Cn1cc([N+](=O)[O-])cc1C(=O)NCCNC(N)=NO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
TOP1 P11387 2/20 0.38
HRAS P01112 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 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
SCHEMBL7533731 0.92 HRAS (0.48) ARTOP1HRASESR1ESR2
SCHEMBL7533826 0.92 HRAS (0.48) ARTOP1HRASESR1ESR2
SCHEMBL14441803 0.83 POLB (0.45) ARPKMMAPTPOLBKDM4E
SCHEMBL27781639 0.81 POLB (0.38) ARTOP1HRASESR1ESR2
SCHEMBL26643233 0.81 HRAS (0.56) ARTOP1HRASESR1ESR2
SCHEMBL6176129 0.80 HRAS (0.53) ARTOP1HRASESR1ESR2
SCHEMBL26374397 0.80 POLB (0.43) ARPKMMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL7538567 0.80 KDM4E (0.41) TOP1HRASESR1ESR2PKM
SCHEMBL4348433 0.79 KDM4E (0.41) ARMAPTKDM4EALDH1A1LMNA
SCHEMBL7541171 0.78 TOP1 (0.34) ARTOP1HRASESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242374-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-09-25 EP disclosed
WO-2001040181-A1 ACRYLOYL PEPTIDIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-06-07 WO disclosed