SCHEMBL3663790

SCHEMBL3663790

Nc1nc2c(ncn2CO[C@H](CO)CF)c(=O)[nH]1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.87
▸ MEN1 O00255 1/20 0.87
▸ ALDH1A1 P00352 1/20 0.87
▸ LMNA P02545 1/20 0.87
▸ CYP3A4 P08684 1/20 0.87
▸ NFKB1 P19838 1/20 0.87
▸ VCP P55072 1/20 0.87
▸ KMT2A Q03164 1/20 0.87
▸ SMN1; SMN2 Q16637 1/20 0.87
▸ HIF1A Q16665 1/20 0.87
▸ PDE3A Q14432 1/20 0.67
▸ PNP P00491 5/20 0.64
▸ USP2 O75604 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ EDNRA P25101 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ HBB P68871 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ HPRT1 P00492 7/20 0.62

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
SCHEMBL60629 1.00 BLM (0.87) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL29388380 1.00 BLM (0.87) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL3033 0.93 BLM (1.00) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL2160505 0.93 BLM (1.00) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL10481442 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL2433042 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL25915 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL11121521 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL11093368 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4
Ganciclovir SCHEMBL10899902 0.92 BLM (0.98) BLMMEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242516-A1 METHODS AND COMPOSITIONS FOR DETECTION OF BACTERIA AND TREATMENT OF DISEASES AND DISORDERS Genelux Corporation (US) 2010-10-27 — — EP claimed
WO-2009126189-A1 METHODS AND COMPOSITIONS FOR DETECTION OF BACTERIA AND TREATMENT OF DISEASES AND DISORDERS GENELUX CORPORATION (US) 2009-10-15 — — WO claimed
EP-2242516-A1 METHODS AND COMPOSITIONS FOR DETECTION OF BACTERIA AND TREATMENT OF DISEASES AND DISORDERS Genelux Corporation (US) 2010-10-27 — — EP disclosed
WO-2009126189-A1 METHODS AND COMPOSITIONS FOR DETECTION OF BACTERIA AND TREATMENT OF DISEASES AND DISORDERS GENELUX CORPORATION (US) 2009-10-15 — — WO disclosed
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