SCHEMBL4093135

SCHEMBL4093135

O=[N+]([O-])CCC(C[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
CPA1 P15085 1/20 0.30

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
SCHEMBL69145 0.83 ALDH1A1 (0.37) ALDH1A1TDP1HIF1ATSHRHPGD
SCHEMBL28183908 0.75 ALDH1A1 (0.35) ALDH1A1TDP1HIF1AMEN1LMNA
SCHEMBL29151937 0.74 TSHR (0.30) ALDH1A1HIF1ATSHRHPGDCPA1
SCHEMBL9452681 0.74 ALDH1A1 (0.44) ALDH1A1HIF1ATSHRHPGDCPA1
SCHEMBL7866116 0.73 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL11784794 0.73 ALDH1A1 (0.48) ALDH1A1LMNA
Formaldehyde SCHEMBL7212866 0.73 ALDH1A1 (0.41) ALDH1A1TDP1HIF1AMEN1LMNA
SCHEMBL16499959 0.72 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL11853128 0.72 ALDH1A1 (0.56) ALDH1A1TDP1TSHR
SCHEMBL7574424 0.70 BLM (0.58) ALDH1A1TDP1HIF1AMEN1LMNA

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
US-20090199938-A1 Nitrocellulose Composition And Uses Therefor KAUFMANN & GOTTWALD ZELLULOID UND PLASTIKWARENFABRIK GESMBH (AT) 2009-08-13 US disclosed
US-3933543-A OXIDIZER, A NON-METAL, A FUEL ATLANTIC RESEARCH CORPORATION (US) 1976-01-20 US disclosed