SCHEMBL6558638

SCHEMBL6558638

CC(C)(SC(C)(C)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
PDE7A Q13946 6/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7B Q9NP56 1/20 0.43
VCAM1 P19320 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 2/20 0.42
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4641866 0.84 HSD17B10 (0.60) HSD17B10PDE7AKMT2AALDH1A1PDE4B
SCHEMBL27775732 0.83 HSD17B10 (0.58) HSD17B10PDE7AKMT2AALDH1A1PDE4B
SCHEMBL6556853 0.80 ALDH1A1 (0.47) HSD17B10PDE7AKMT2AALDH1A1LMNA
SCHEMBL11300569 0.79 HSD17B10 (0.62) HSD17B10PDE7AKMT2AALDH1A1PDE4B
SCHEMBL2815627 0.78 HSD17B10 (0.51) HSD17B10PDE7AKMT2AALDH1A1PDE4B
SCHEMBL2817984 0.78 HSD17B10 (0.51) HSD17B10PDE7AKMT2AALDH1A1VCAM1
SCHEMBL26633331 0.78 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1NR1H4LMNA
SCHEMBL2816593 0.78 HSD17B10 (0.51) HSD17B10PDE7AKMT2AALDH1A1VCAM1
SCHEMBL29749675 0.78 HSD17B10 (0.51) HSD17B10PDE7AKMT2AALDH1A1NR1H4
SCHEMBL31318376 0.77 HSD17B10 (0.60) HSD17B10PDE7AKMT2AALDH1A1VCAM1

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-0976725-B1 Process for the continuous preparation of amino-halogenophenyl alkyl thioethers BAYER CHEMICALS AG (DE) 2004-03-03 EP claimed