SCHEMBL1292037

SCHEMBL1292037

Cc1nc(C(N)=O)c2sc(C)c(C)c2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 6/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ NOS1 P29475 1/20 0.31

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
SCHEMBL13757219 0.73 MAPK1 (0.34) MAPTHSD17B10MAPK1GAAGAK
SCHEMBL11940152 0.69 KDM4E (0.39) MAPTKDM4EALDH1A1KMT2AADORA3
SCHEMBL7718725 0.68 KDM4E (0.44) KDM4EADORA3LMNAPKMADORA2A
SCHEMBL27558227 0.66 NOS1 (0.48) MAPTHSD17B10MAPK1GAAKDM4E
SCHEMBL28275637 0.66 KDM4E (0.42) KDM4EALDH1A1ADORA3LMNAPKM
SCHEMBL13757232 0.65 MAPK1 (0.34) MAPTHSD17B10MAPK1GAAGAK
SCHEMBL15790573 0.64 ALDH1A1 (0.43) MAPTHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL8992099 0.64 DGAT1 (0.45) KDM4EADORA3LMNAPKMADORA2A
SCHEMBL3403505 0.63 LMNA (0.38) KDM4ENOTUMRAB9ALMNAATM
SCHEMBL7057660 0.63 LIMK1 (0.37) MAPTMAPK1GAAKDM4EALDH1A1

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
WO-2012045114-A1 AGENTS AND METHODS FOR TREATING HEMATOLOGIC CONDITIONS THE UNIVERSITY OF QUEENSLAND (AU) 2012-04-12 — — WO disclosed
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