SCHEMBL10658718

SCHEMBL10658718

CN1C(=O)NC(=O)/C1=C\c1cc(OCCCS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.46
▸ PDE3A Q14432 3/20 0.46
▸ P2RY12 Q9H244 3/20 0.46
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 9/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.36
▸ PLIN1 O60240 2/20 0.35
▸ PLIN5 Q00G26 2/20 0.35
▸ ABHD5 Q8WTS1 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL10658721 1.00 PDE3B (0.46) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10657585 0.83 PTPN1 (0.46) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10657595 0.83 PTPN1 (0.46) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10656359 0.80 PTPN1 (0.45) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10656364 0.80 PTPN1 (0.45) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10659724 0.80 PDE3B (0.46) PDE3BPDE3AP2RY12MAPTHTT
SCHEMBL10657645 0.78 PDE3B (0.42) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10657656 0.78 PDE3B (0.42) PDE3BPDE3AP2RY12HPGDMAPT
SCHEMBL10754644 0.77 ALDH1A1 (0.47) HPGDMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10754642 0.77 ALDH1A1 (0.47) HPGDMAPTSMN1; SMN2KMT2AMEN1

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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 — — US disclosed
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