SCHEMBL9140558

SCHEMBL9140558

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ALB P02768 1/20 0.59
▸ P2RX3 P56373 1/20 0.55
▸ TYMP P19971 3/20 0.53
▸ PAX8 Q06710 1/20 0.52
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ HPGD P15428 1/20 0.50
▸ STING1 Q86WV6 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLC28A1 O00337 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ GAPDH P04406 1/20 0.46
▸ ADORA2A P29274 1/20 0.46

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
Inosine SCHEMBL1738548 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL13012212 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL6933022 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL6748953 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL13062153 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL10001664 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL18249508 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL12964365 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL16707275 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3
Inosine SCHEMBL13320592 0.86 PAX8 (0.69) MAPK1ALDH1A1LMNAALBP2RX3

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
US-5420276-A Ring contraction via diazoketone intermediate, active against herpes ABBOTT LABORATORIES (US) 1995-05-30 — — US disclosed
Send feedback