SCHEMBL5804723

SCHEMBL5804723

O=C(NCCCN1CCOCC1)c1ncc2nc[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TYRO3 Q06418 1/20 0.48
▸ MERTK Q12866 1/20 0.48
▸ GAS6 Q14393 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 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
SCHEMBL7127675 0.81 CYP1A2 (0.45) ALDH1A1TSHRKDM4EGLA
SCHEMBL30265074 0.76 TSHR (0.58) ALDH1A1SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL3736562 0.73 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL29672523 0.71 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL31086880 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL26921315 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL5222020 0.70 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL5758424 0.70 GABRR1 (0.40) POLB
SCHEMBL15648958 0.69 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRKDM4EGLA
SCHEMBL3082957 0.69 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2TSHRKDM4E

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
EP-1255764-B8 PURINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP claimed
JP-2004508284-A — — 2004-03-18 — — JP claimed
EP-1255764-A1 PURINE DERIVATIVES PFIZER INC. (US) 2002-11-13 — — EP claimed
WO-2001060835-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-08-23 — — WO claimed
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