SCHEMBL7707004

SCHEMBL7707004

OC[C@H]1O[C@@H](n2cnc3c(O)nc(Br)nc32)CC1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ PIM1 P11309 1/20 0.61
▸ CSNK2A2 P19784 1/20 0.61
▸ CSNK2B P67870 1/20 0.61
▸ CSNK2A1 P68400 1/20 0.61
▸ CSNK2A3 Q8NEV1 1/20 0.61
▸ HIF1A Q16665 1/20 0.59
▸ ADRB1 P08588 1/20 0.52
▸ DNMT1 P26358 1/20 0.52

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
SCHEMBL5982193 1.00 PNP (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL7707000 1.00 PNP (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL5982391 0.89 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL5982393 0.89 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL855722 0.88 PNP (0.64) PNPLMNATP53HTTPDE4D
SCHEMBL10438039 0.88 PNP (0.64) PNPLMNATP53HTTPDE4D
SCHEMBL5549318 0.87 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5982109 0.87 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL7198420 0.87 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5982104 0.87 PNP (0.76) PNPLMNATP53HTTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355785-B1 ENZYME INHIBITORS ARONEX PHARMACEUTICALS, INC. 2002-03-12 — — US claimed
US-5646155-A ADMINISTERING A 9-SUBSTITUTED-N2-PHENYLGUANINE DERIVATIVE UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-07-08 — — US disclosed
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