SCHEMBL9806967

SCHEMBL9806967

NCCc1nc2nc(N)[nH]c(=O)c2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.63
THRB P10828 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL5935062 0.91 PNP (0.70) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL15743133 0.90 PNP (0.59) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL8196747 0.89 PNP (0.58) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL21314870 0.87 PNP (0.56) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL441796 0.85 PNP (0.61) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL350396 0.85 PNP (0.61) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL667795 0.85 PNP (0.61) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL9960811 0.84 PNP (0.71) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL6272728 0.82 PNP (0.58) PNPTHRBKDM4EMEN1ALDH1A1
SCHEMBL6266584 0.81 PNP (0.56) PNPTHRBKDM4EMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4557934-A ALONG WITH A DIOL PYRROLIDONE OR AN AZACYCLOPENTAN-2-ONE THE PROCTER & GAMBLE COMPANY (US) 1985-12-10 US claimed
EP-0129285-B1 PENETRATING TOPICAL PHARMACEUTICAL COMPOSITIONS CONTAINING N-(2-HYDROXYETHYL)PYRROLIDONE THE PROCTER & GAMBLE COMPANY (US) 1991-05-15 EP disclosed
US-4557934-A ALONG WITH A DIOL PYRROLIDONE OR AN AZACYCLOPENTAN-2-ONE THE PROCTER & GAMBLE COMPANY (US) 1985-12-10 US disclosed
US-4537776-A PERCUTANEOUS DELIVERY OF ANTIINFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1985-08-27 US disclosed
EP-0129284-A2 Improved penetrating topical pharmaceutical compositions containing 1-dodecyl-azacycloheptan-2-one THE PROCTER & GAMBLE COMPANY (US) 1984-12-27 EP disclosed