SCHEMBL8440987

SCHEMBL8440987

O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 3/20 0.45
GPR35 Q9HC97 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
CYP3A4 P08684 1/20 0.42
KDM4A O75164 1/20 0.42
TDP2 O95551 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
METAP1 P53582 1/20 0.41

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
SCHEMBL202396 0.76 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL29395113 0.76 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL9400597 0.76 KMT2A (0.51) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL30533378 0.73 ADORA3 (0.71) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL3029836 0.73 ADORA3 (0.71) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL3037209 0.72 KMT2A (0.50) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL5713550 0.71 GSTP1 (0.45) MEN1KMT2AMAPTL3MBTL1
SCHEMBL6068680 0.71 TXNRD1 (0.47) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL5714471 0.70 TXNRD1 (0.46) MEN1KMT2AALDH1A1TSHRMAPK1
SCHEMBL10130855 0.69 SLC18A3 (0.67) MEN1KMT2ATDP1ALDH1A1GPR35

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-0888768-A2 Hair-dye Wella Aktiengesellschaft (DE) 1999-01-07 EP disclosed