SCHEMBL11523151

SCHEMBL11523151

CCCCCCCc1onc(C(=O)c2ccccc2C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 2/20 0.43
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 1/20 0.34
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
PLK1 P53350 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL11523311 0.85 GPX4 (0.42) GPX4LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11521735 0.85 GPX4 (0.42) GPX4LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11742782 0.77 GPX4 (0.39) GPX4ALDH1A1ELANE
SCHEMBL11523282 0.77 GPX4 (0.39) GPX4ALDH1A1ELANE
SCHEMBL11522399 0.77 GPX4 (0.39) GPX4ALDH1A1ELANE
SCHEMBL11746547 0.77 GPX4 (0.39) GPX4ALDH1A1ELANE
SCHEMBL11524953 0.77 GPX4 (0.39) GPX4ALDH1A1ELANE
SCHEMBL11742201 0.75 POLB (0.39) LMNARAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11522884 0.73 PTGS2 (0.43) GPX4LMNAALDH1A1MAPT
SCHEMBL11737460 0.71 GPX4 (0.39) GPX4LMNARAB9ASMN1; SMN2ALDH1A1

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
US-4172079-A Preparation of 4-nitroisoxazoles TEXACO INC. (US) 1979-10-23 US disclosed