SCHEMBL18984687

SCHEMBL18984687

Nc1nc2nc(-c3nc4nc(N5CCCCCC5)[nH]c(=O)c4[nH]3)[nH]c2c(=O)[nH]1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 6/20 0.51
▸ FGFR1 P11362 6/20 0.49
▸ FGFR2 P21802 6/20 0.49
▸ HPGD P15428 2/20 0.43
▸ TXN P10599 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FGFR3 P22607 1/20 0.39

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
Hydrochloric Acid SCHEMBL8846302 0.99 PNP (0.50) PNPFGFR1FGFR2HPGDTXN
SCHEMBL3657011 0.77 PNP (0.54) PNPFGFR1FGFR2HPGDMEN1
SCHEMBL21399252 0.74 MEN1 (0.48) HPGDMEN1KMT2ACYP1A2CYP2C19
8-Aminoguanine SCHEMBL21761 0.71 PNP (1.00) PNPFGFR1FGFR2HPGDMEN1
SCHEMBL21388797 0.70 MEN1 (0.45) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL7107301 0.68 PNP (0.58) PNPFGFR1FGFR2HPGDMEN1
SCHEMBL4306768 0.68 FGFR1 (0.54) PNPFGFR1FGFR2HPGDTXN
SCHEMBL21380747 0.67 MEN1 (0.44) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5828312 0.67 FGFR1 (0.52) PNPFGFR1FGFR2HPGDTXN
SCHEMBL11679718 0.66 CTSK (0.41) PNPHPGDMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017112384-A1 STRUCTURED DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-06-29 — — WO disclosed
EP-3184619-A1 STRUCTURED DETERGENT COMPOSITIONS The Procter & Gamble Company (US) 2017-06-28 — — EP disclosed
US-20170175042-A1 STRUCTURED DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2017-06-22 — — US disclosed
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