SCHEMBL10808167

SCHEMBL10808167

O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.79
KMT2A Q03164 10/20 0.72
MEN1 O00255 9/20 0.72
MAPT P10636 7/20 0.72
ALDH1A1 P00352 5/20 0.72
HTT P42858 4/20 0.72
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69

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
SCHEMBL10922701 0.92 KMT2A (0.72) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL10962764 0.91 KMT2A (0.74) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL24340403 0.90 KMT2A (0.69) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL15689083 0.90 RAB9A (0.73) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL10919656 0.88 KMT2A (0.67) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL21586297 0.87 KMT2A (0.75) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL15688998 0.87 MEN1 (0.87) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL8684018 0.86 CSNK2A1 (0.67) BAZ1AKMT2AMEN1MAPTALDH1A1
SCHEMBL3593035 0.86 CSNK2A1 (0.67) BAZ1AKMT2AMEN1MAPTALDH1A1
Bromide SCHEMBL7146574 0.85 KMT2A (0.68) BAZ1AKMT2AMEN1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0069784-B1 THIAZOLYLUREA DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1987-12-16 EP disclosed
US-4490393-A Thiazolylurea derivatives, a process for preparing same and a pharmaceutical composition containing same Mitsui Toatsu Kagaki Kabushiki Kaisha (JP) 1984-12-25 US disclosed
EP-0069784-A1 THIAZOLYLUREA DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1983-01-19 EP disclosed