SCHEMBL7514528

SCHEMBL7514528

O=C(O)c1ccc(CN(CCc2ccccc2)C(=S)NCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SNCA P37840 1/20 0.42
HCAR3 P49019 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7515600 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL7515852 0.74 KMT2A (0.59) SMN1; SMN2ALDH1A1KMT2AMEN1HCAR3
SCHEMBL7514525 0.73 KMT2A (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1HCAR3
SCHEMBL6952927 0.72 ALDH1A1 (0.47) LTA4HALDH1A1KMT2ALMNASNCA
SCHEMBL6378384 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2ASNCAHCAR3
SCHEMBL6377823 0.71 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2ASNCAHCAR3
SCHEMBL7598671 0.71 HPGD (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1GAA
SCHEMBL15862211 0.70 HCAR3 (0.61) LTA4HALDH1A1LMNAHCAR3
SCHEMBL992446 0.69 HCAR3 (0.68) KMT2AMEN1LMNAGAAHCAR3
SCHEMBL1483517 0.69 CASP6 (0.66) LMNAHCAR3

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-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed