SCHEMBL9747416

SCHEMBL9747416

CCCCCCOCC(OCCOCc1ccccc1)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.45
PNP P00491 8/20 0.45
XDH P47989 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10598150 0.84 HPRT1 (0.44) HPRT1PNPXDHMEN1KMT2A
SCHEMBL10400436 0.82 BLM (0.55) HPRT1PNPMEN1KMT2A
SCHEMBL9662638 0.82 BLM (0.55) HPRT1PNPMEN1KMT2A
SCHEMBL10564406 0.82 BLM (0.55) HPRT1PNPMEN1KMT2A
SCHEMBL8990385 0.81 HPRT1 (0.57) HPRT1PNP
SCHEMBL8990380 0.81 HPRT1 (0.57) HPRT1PNP
SCHEMBL8743536 0.79 PNP (0.51) HPRT1PNPXDHMEN1KMT2A
SCHEMBL8743558 0.78 PNP (0.50) HPRT1PNPXDHMEN1KMT2A
SCHEMBL10994419 0.77 HPRT1 (0.40) HPRT1PNPXDH
SCHEMBL16056622 0.77 HPRT1 (0.43) HPRT1PNPXDHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098906-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1992-03-24 US disclosed
US-4921859-A Purine derivatives WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
EP-0145207-A1 Purine derivatives WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed