SCHEMBL10640340

SCHEMBL10640340

OCC(OCn1cnc2c(O)nc(Cl)nc21)C(O)I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.39
▸ 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
▸ 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
▸ YTHDC1 Q96MU7 6/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ P2RY1 P47900 3/20 0.33
▸ PDE3A Q14432 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PNP P00491 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL10642163 0.84 BLM (0.54) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL10643609 0.77 CCNE1 (0.50) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL11247946 0.75 PNP (0.54) BLMMEN1KMT2AYTHDC1P2RX7
SCHEMBL10638325 0.70 LMNA (0.59) BLMMEN1ALDH1A1LMNACYP3A4
Phosphoric Acid SCHEMBL11324109 0.69 PNP (0.51) BLMP2RY1USP2PNPTSHR
Ganciclovir SCHEMBL14491348 0.69 BLM (0.60) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL20350686 0.68 CDK1 (0.47) CYP3A4HIF1AYTHDC1P2RX7P2RY1
SCHEMBL11258121 0.68 CDK1 (0.51) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL14393416 0.68 BLM (0.45) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL13625720 0.68 BLM (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072027-B1 ANTIVIRAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-18 — — EP disclosed
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