SCHEMBL6472036

SCHEMBL6472036

CC(C)(C)C1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
MAPT P10636 5/20 0.69
MEN1 O00255 4/20 0.69
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 6/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
PKM P14618 1/20 0.49
ANO1 Q5XXA6 2/20 0.49
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
POLB P06746 3/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL8288649 0.93 KMT2A (0.80) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3911790 0.92 KMT2A (0.81) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL6435364 0.89 KMT2A (0.85) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3914480 0.81 MAPT (1.00) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3914109 0.81 MEN1 (1.00) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3914440 0.79 MEN1 (1.00) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3913942 0.78 KMT2A (0.85) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL8289674 0.75 ALDH1A1 (0.80) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL8289749 0.73 ALDH1A1 (0.97) KMT2AMAPTMEN1HPGDSMN1; SMN2
SCHEMBL3922647 0.73 MAPT (0.59) KMT2AMAPTMEN1HPGDSMN1; SMN2

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
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP claimed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO claimed