SCHEMBL9309643

SCHEMBL9309643

O=c1[nH]cnc2c1ncn2C1C(CO)C1CO

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ ALB P02768 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ ADORA3 P0DMS8 4/20 0.59
▸ HPRT1 P00492 4/20 0.49
▸ AHCY P23526 1/20 0.45
▸ P2RX3 P56373 1/20 0.45
▸ PNP P00491 1/20 0.43
▸ TYMP P19971 1/20 0.43
▸ STING1 Q86WV6 1/20 0.42

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
SCHEMBL9140558 0.81 MAPK1 (0.59) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL8338176 0.81 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL8537379 0.81 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9309087 0.80 ALDH1A1 (0.58) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9308280 0.80 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9310744 0.79 ADORA3 (0.61) ALDH1A1LMNAADORA3HPRT1PNP
SCHEMBL9871642 0.79 ADORA3 (0.61) ALDH1A1LMNAADORA3HPRT1PNP
SCHEMBL29576110 0.79 ADORA3 (0.61) ALDH1A1LMNAADORA3HPRT1PNP
SCHEMBL9503893 0.78 ADORA3 (0.60) ALDH1A1LMNAADORA3HPRT1PNP
SCHEMBL9310418 0.78 ALDH1A1 (0.58) ALDH1A1LMNAALBMAPK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 — — US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 — — EP disclosed
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