SCHEMBL9540469

SCHEMBL9540469

CCOP(=O)(O)CCC(COCc1ccccc1)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
BLM P54132 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PNP P00491 10/20 0.51
POLG P54098 1/20 0.49
PDE3A Q14432 1/20 0.47

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
SCHEMBL11018320 0.85 BLM (0.56) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL9651453 0.85 BLM (0.65) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL7919764 0.84 BLM (0.59) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6840470 0.83 BLM (0.72) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6377806 0.83 BLM (0.72) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6835357 0.83 BLM (0.72) HPRT1MEN1ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL6380553 0.83 BLM (0.71) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL8981399 0.82 PNP (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6835438 0.82 PNP (0.61) HPRT1MEN1ALDH1A1LMNACYP3A4
SCHEMBL6839490 0.81 PDE3A (0.59) HPRT1MEN1ALDH1A1LMNACYP3A4

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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed