SCHEMBL9735540

SCHEMBL9735540

CCCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NFKBIA P25963 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
RELA Q04206 1/20 0.46
PKM P14618 1/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 1/20 0.45
KAT2B Q92831 2/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL8576116 0.86 GUSB (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8578058 0.82 KMT2A (0.61) ALDH1A1MEN1KMT2AHTT
SCHEMBL10575550 0.80 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2ARELA
SCHEMBL9796207 0.78 CYP3A4 (0.47) ALDH1A1TDP1MEN1KMT2ANFKBIA
SCHEMBL4067677 0.78 KMT2A (0.60) ALDH1A1MEN1KMT2AHTT
SCHEMBL3812561 0.78 LMNA (0.43) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL9735536 0.77 ALDH1A1 (0.70) ALDH1A1MAPTTDP1POLBMEN1
SCHEMBL14572312 0.77 RECQL (0.62) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL14572299 0.77 RECQL (0.62) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL25682872 0.77 RECQL (0.62) ALDH1A1TDP1MEN1KMT2ACYP3A4

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
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 EP disclosed