SCHEMBL31272173

SCHEMBL31272173

O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ SLC6A2 P23975 1/20 0.62
▸ SLC6A4 P31645 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ TXNRD1 Q16881 1/20 0.55
▸ TXNRD3 Q86VQ6 1/20 0.55
▸ TXNRD2 Q9NNW7 1/20 0.55
▸ PDE7B Q9NP56 2/20 0.53
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4C Q9H3R0 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL875772 1.00 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1342485 0.88 PDE7A (0.64) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2417324 0.88 PDE7A (0.64) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL8095611 0.88 PDE7A (1.00) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL1713219 0.87 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL30338244 0.87 PDE7A (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL224666 0.86 PDE7A (0.60) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL22133428 0.85 ALDH1A1 (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6930370 0.85 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2360372 0.84 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3

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
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 — — CN disclosed
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