SCHEMBL8623550

SCHEMBL8623550

CC(=O)OC[C@H]1OC(c2nc3c(N)nc(F)nc3[nH]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ CA12 O43570 7/20 0.40
▸ CA1 P00915 7/20 0.40
▸ CA2 P00918 7/20 0.40
▸ CA9 Q16790 7/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9232014 0.85 TSHR (0.48) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL1846805 0.78 TSHR (0.52) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL8593099 0.78 TSHR (0.47) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL3815688 0.76 TSHR (0.53) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL8595566 0.76 TSHR (0.47) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL9229013 0.74 TSHR (0.43) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL11004850 0.74 TSHR (0.50) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL8595649 0.73 TSHR (0.47) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL9232024 0.73 TSHR (0.47) TSHRALDH1A1LMNASMN1; SMN2THRB
SCHEMBL10999362 0.72 TSHR (0.50) TSHRALDH1A1LMNASMN1; SMN2THRB

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
EP-0759926-B1 PROCESS FOR PRODUCING ARABINO-NUCLEOSIDES SCHERING AG (DE) 1998-08-19 — — EP disclosed
US-5712099-A Process for the production of arabinonucleosides SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-27 — — US disclosed
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