SCHEMBL7591146

SCHEMBL7591146

CSc1ncnc2c1ncn2CCOCCP

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.61
▸ TSHR P16473 1/20 0.61
▸ FGFR1 P11362 2/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ NSD3 Q9BZ95 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ NSD2 O96028 5/20 0.38
▸ TP53 P04637 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
SCHEMBL7601180 0.80 FGFR1 (0.69) CYP1A2TSHRFGFR1SLC22A6
SCHEMBL23228237 0.75 CYP1A2 (0.72) CYP1A2TSHRSMN1; SMN2CYP2D6MAPK1
SCHEMBL8466930 0.73 CYP1A2 (0.72) CYP1A2TSHRSMN1; SMN2CYP2D6MAPK1
SCHEMBL6426384 0.70 CYP1A2 (0.59) CYP1A2TSHRSMN1; SMN2CYP2D6ADORA2A
SCHEMBL382916 0.70 FGFR1 (0.66) FGFR1SLC22A6NSD3SMN1; SMN2LMNA
SCHEMBL8768263 0.70 CYP1A2 (0.59) CYP1A2TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL9583305 0.68 CYP1A2 (0.54) CYP1A2TSHRSMN1; SMN2LMNAADORA2A
SCHEMBL9561545 0.67 ADORA2A (0.50) CYP1A2FGFR1SLC22A6NSD3SMN1; SMN2
SCHEMBL4364344 0.67 ADORA2A (0.70) FGFR1SLC22A6NSD3SMN1; SMN2LMNA
SCHEMBL2003349 0.67 NSD3 (0.47) CYP1A2TSHRFGFR1SLC22A6NSD3

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
EP-0919562-B1 PHOSPHONATE NUCLEOTIDE COMPOUNDS MITSUBISHI CHEM CORP (JP) 2002-11-06 — — EP disclosed
Send feedback