SCHEMBL19670573

SCHEMBL19670573

O=C(Nc1nnc(-c2ccncc2)s1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.39
▸ MAPK8 P45983 3/20 0.39
▸ BLM P54132 6/20 0.39
▸ IDE P14735 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ WRN Q14191 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ GPR65 Q8IYL9 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ USP8 P40818 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL17618860 0.86 MAPK10 (0.38) MAPK10MAPK8BLMIDEMAPK1
SCHEMBL19670476 0.83 TRPV1 (0.46) MAPK1WNT3A
SCHEMBL19670497 0.83 MAPT (0.45) KDM4EUSP2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL19365629 0.81 CHRM4 (0.41) —
SCHEMBL17618797 0.81 USP2 (0.39) WNT3AKDM4EUSP2USP8HPGD
SCHEMBL17618810 0.79 KMT2A (0.40) BLMWNT3AKDM4EUSP2USP8
SCHEMBL19670299 0.79 FYN (0.43) MAPK1KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL19670414 0.78 ADCY1 (0.41) MAPK1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL19365413 0.78 ADCY1 (0.50) MAPK1KDM4EGPR65SMN1; SMN2ALDH1A1
SCHEMBL19365574 0.77 CA2 (0.41) SMN1; SMN2ALDH1A1HSD17B10KMT2AMEN1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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