SCHEMBL9583307

SCHEMBL9583307

COc1ccc(N(c2nc(N(c3ccc(OC)cc3)C(c3ccccc3)c3ccccc3)c3ncn(COC(CO)COC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)c3n2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.33
CCNE1 P24864 5/20 0.33
CDK2 P24941 5/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
VCP P55072 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TYMP P19971 1/20 0.32
PDE3A Q14432 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
SCHEMBL9584271 0.92 CCNE2 (0.33) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583053 0.92 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9584054 0.91 MEN1 (0.39) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583830 0.90 CCNE2 (0.32) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583174 0.90 CCNE2 (0.38) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583074 0.89 HPGD (0.36) TYMP
SCHEMBL9583185 0.88 TYMP (0.30) TYMP
SCHEMBL9584071 0.87 ALDH1A1 (0.32) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9584856 0.85 PDE3A (0.33) CCNE2CCNE1CDK2MEN1ALDH1A1
SCHEMBL9583487 0.84 KMT2A (0.35) CCNE2CCNE1CDK2MEN1ALDH1A1

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