SCHEMBL10586033

SCHEMBL10586033

CC(C)OCC(COC(=O)C(C)(C)C)OCn1cnc2c(Cl)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 9/20 0.43
▸ FGFR4 P22455 9/20 0.43
▸ FDPS P14324 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ FAP Q12884 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ POLG P54098 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ PDE3A Q14432 1/20 0.38
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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

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
SCHEMBL9583917 0.81 CYP1A2 (0.50) FAPABCB11POLA1POLGSLC22A6
SCHEMBL10364108 0.77 ACHE (0.40) FGFR1FGFR4HDAC6PDE3ACYP3A4
SCHEMBL9592643 0.76 FGFR1 (0.40) FGFR1FGFR4FDPSHDAC6P2RX7
SCHEMBL8846475 0.74 ADORA2A (0.56) CYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL9583095 0.74 CCNE1 (0.48) HDAC6FAPABCB11POLA1POLG
SCHEMBL9575550 0.72 ACHE (0.42) FGFR1FGFR4HDAC6P2RX7PDE3A
SCHEMBL9583892 0.72 ADORA2A (0.53) FAPPDE3ACYP3A4ALDH1A1
SCHEMBL9583614 0.71 MEN1 (0.68) PDE3ACYP3A4MEN1ALDH1A1LMNA
SCHEMBL9584969 0.71 PDE3A (0.44) HDAC6FAPABCB11POLA1POLG
SCHEMBL10585084 0.70 PDE3A (0.42) FGFR1PDE3ACYP3A4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306845-A2 Medicinal preparation containing certain derivatives of 6-mercaptopurine, use of these derivatives of 6-mercaptopurine, process for the preparation of the medicinal preparation and some derivatives of 6-mercaptopurine and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-15 — — EP disclosed
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