SCHEMBL8945454

SCHEMBL8945454

CSc1nc(O)c2ncccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
KDM4E B2RXH2 9/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MMP2 P08253 2/20 0.39
TSHR P16473 2/20 0.39
CHRM1 P11229 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPSR1 Q6W5P4 2/20 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
SCHEMBL8945460 0.79 KDM4E (0.40) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31353938 0.77 PRMT5 (0.47) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL30308911 0.76 MMP2 (0.45) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL3705881 0.76 MMP2 (0.45) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8945472 0.76 KDM4E (0.46) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8810477 0.73 KDM4E (0.59) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL11860802 0.73 METAP2 (0.42) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8945215 0.73 MMP2 (0.42) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31354076 0.72 LMNA (0.41) PRMT5KDM4ELMNAHTTSMN1; SMN2
SCHEMBL17049278 0.69 RPS6KA5 (0.48) KDM4ELMNAHTTSMN1; SMN2ALDH1A1

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-5494887-A Ring annulated 5-alkoxy-n-aryl[1,2,4]triazolo[1,5-C]-pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1996-02-27 US disclosed