SCHEMBL6979670

SCHEMBL6979670

[N]C1CCCCC(Cc2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
TBXA2R P21731 1/20 0.38
TRPA1 O75762 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6974503 0.87 HRH3 (0.44) EPHX1POLBMAPTLMNAGAA
SCHEMBL11469205 0.78 POLB (0.58) EPHX1POLBMAPTLMNAGAA
SCHEMBL10376287 0.78 POLB (0.53) EPHX1POLBMAPTLMNAGAA
SCHEMBL6976968 0.77 POLB (0.40) POLBLMNATRPA1
SCHEMBL8139586 0.77 KMT2A (0.44) EPHX1POLBMAPTLMNAGAA
SCHEMBL6976719 0.77 POLB (0.59) POLB
SCHEMBL6972927 0.76 SMN1; SMN2 (0.43) EPHX1POLBMAPTLMNAGAA
SCHEMBL17542138 0.75 TBXA2R (0.49) POLBLOXL2ALDH1A1KMT2ATBXA2R
SCHEMBL17542137 0.75 TBXA2R (0.49) POLBLOXL2ALDH1A1KMT2ATBXA2R
SCHEMBL6447825 0.75 LMNA (0.52) EPHX1POLBMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed