SCHEMBL10388752

SCHEMBL10388752

NC(=S)c1cn(COCCO)c2ncnc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
GALR3 O60755 1/20 0.47
S1PR4 O95977 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
S1PR1 P21453 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
SRC P12931 8/20 0.43
LCK P06239 2/20 0.43
TEK Q02763 1/20 0.43
ADK P55263 2/20 0.38
USP2 O75604 1/20 0.37
PNP P00491 1/20 0.37
TSHR P16473 1/20 0.37
EDNRA P25101 1/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 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
SCHEMBL7700383 0.88 NPC1 (0.43) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL7700980 0.86 NPC1 (0.45) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL8440532 0.82 SRC (0.41) SRCLCKTEKADKUSP2
SCHEMBL8442307 0.81 ALDH1A1 (0.46) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL7699497 0.81 IGF1R (0.43) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL8444992 0.81 SRC (0.46) SRCLCKTEKADKUSP2
SCHEMBL8441851 0.81 DYRK3 (0.54) RAB9ASRCLCKTEKADK
SCHEMBL8442394 0.81 SRC (0.46) SRCLCKTEKADKUSP2
SCHEMBL8442195 0.78 SRC (0.43) SRCLCKTEKADKUSP2
SCHEMBL10388753 0.77 SRC (0.41) SRCLCKTEKADKUSP2

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-4968686-A DECREASED CYTOTOXICITY; CYTOMEGALO AND HERPEX SIMPLEX VIRUSES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1990-11-06 US disclosed