SCHEMBL4059922

SCHEMBL4059922

O[C@@H]1[C@@H](O)[C@@H](Oc2cccn3cc(Cc4ccccc4)nc23)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.35
HPSE Q9Y251 1/20 0.34
DHFR P00374 1/20 0.33
KDM4E B2RXH2 6/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ADORA2A P29274 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 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
SCHEMBL4059918 1.00 ADORA3 (0.35) ADORA3HPSEDHFRKDM4ENPC1
SCHEMBL4061527 0.82 ALDH1A3 (0.45) ADORA3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4061530 0.82 ALDH1A3 (0.45) ADORA3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4066331 0.81 PSEN1 (0.32) ADORA3KDM4EPSEN1PSEN2APH1B
SCHEMBL4066336 0.81 PSEN1 (0.32) ADORA3KDM4EPSEN1PSEN2APH1B
SCHEMBL4062013 0.80 HTR4 (0.37) ADORA3
SCHEMBL4062015 0.80 HTR4 (0.37) ADORA3
SCHEMBL4063309 0.78 KDM4E (0.34) HPSEDHFRKDM4ENPC1RAB9A
SCHEMBL4063303 0.78 KDM4E (0.34) HPSEDHFRKDM4ENPC1RAB9A
SCHEMBL4066428 0.74 SSTR4 (0.36) ADORA3ADORA2A

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-2041153-B1 NEW 5-THIOXYLOPYRANOSE DERIVATIVES FOURNIER LAB SA (FR) 2009-10-21 EP disclosed