SCHEMBL10483353

SCHEMBL10483353

Nc1cc(C(=O)Nc2ncnc(-c3ccc4ccccc4c3)n2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.55
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ DEGS1 O15121 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TPH1 P17752 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL9566552 0.88 GABRP (0.48) SIRT2NPC1RAB9AKDM4EMEN1
SCHEMBL9566616 0.84 ALDH1A1 (0.46) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL9566461 0.83 L3MBTL1 (0.49) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL9566514 0.83 CSNK1D (0.45) KDM4EGSK3B
SCHEMBL9566634 0.83 ADORA1 (0.48) KDM4EMEN1KMT2AHTT
SCHEMBL10483438 0.82 NPC1 (0.40) SIRT2NPC1RAB9AKDM4EMEN1
SCHEMBL10483372 0.82 HDAC1 (0.41) SIRT2NPC1RAB9AKDM4EMEN1
SCHEMBL9566531 0.82 HDAC1 (0.48) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL10483371 0.82 JAK2 (0.41) SIRT2NPC1RAB9AKDM4EMEN1
SCHEMBL10483546 0.81 LMNA (0.45) SIRT2NPC1RAB9AKDM4EMEN1

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
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US claimed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
Send feedback