SCHEMBL5452848

SCHEMBL5452848

CCCCCCCCCCCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
LMNA P02545 1/20 0.79
KMT2A Q03164 6/20 0.69
MEN1 O00255 5/20 0.69
EPHX1 P07099 2/20 0.67
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 3/20 0.56
PKM P14618 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL5463741 0.86 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5451487 0.84 ALDH1A1 (0.70) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5448140 0.83 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5972347 0.80 MAPT (0.77) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL16730430 0.78 MAPT (0.72) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5448159 0.77 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL29654104 0.76 EPHX1 (0.72) ALDH1A1LMNAKMT2AMEN1EPHX1
SCHEMBL5529555 0.76 EPHX1 (0.72) ALDH1A1LMNAKMT2AMEN1EPHX1
SCHEMBL14242999 0.75 CYP19A1 (0.58) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL11609630 0.74 HTT (0.60) ALDH1A1LMNAKMT2AMEN1EPHX1

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed