SCHEMBL9693608

SCHEMBL9693608

Nc1c([N+](=O)[O-])ccc2c1Cc1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
THRB P10828 1/20 0.36
ACHE P22303 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL4932469 0.77 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27695686 0.74 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27566220 0.73 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL88254 0.70 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11298004 0.69 SNCA (0.41) MEN1KMT2AMAPTLMNABLM
SCHEMBL28160956 0.69 HPGD (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL15220550 0.66 TDP1 (0.56) MEN1KMT2AMAPTALDH1A1L3MBTL1
Thioxanthene SCHEMBL8717 0.66 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
Thioxanthene SCHEMBL29398766 0.66 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL5606116 0.65 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD

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-5139910-A Photoconductive imaging members with bisazo compositions XEROX CORPORATION (US) 1992-08-18 US disclosed