SCHEMBL9583267

SCHEMBL9583267

COc1ccc(N(c2nc(OC)c3ncn(COC(CO)CO)c3n2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
VCP P55072 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
CCNE2 O96020 10/20 0.37
CCNE1 P24864 10/20 0.37
CDK2 P24941 10/20 0.37
HPGD P15428 1/20 0.37
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL9584054 0.91 MEN1 (0.39) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9584271 0.91 CCNE2 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583529 0.90 MEN1 (0.39) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583348 0.89 MEN1 (0.38) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9584080 0.88 KMT2A (0.35) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583702 0.85 FLT4 (0.33) ALDH1A1LMNAKMT2ACCNE2CCNE1
SCHEMBL9583875 0.85 ALDH1A1 (0.36) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583307 0.82 CCNE2 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583392 0.82 HPGD (0.42) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10817727 0.82 BLM (0.52) MEN1ALDH1A1LMNACYP3A4NFKB1

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
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 EP disclosed