SCHEMBL9804170

SCHEMBL9804170

Cc1csc(CCCCCCCOc2ccc3ccccc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC1 Q13547 3/20 0.44
MAPT P10636 2/20 0.43
DRD3 P35462 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL9804039 0.82 LMNA (0.47) HRH3NPC1NPSR1MAPTLMNA
SCHEMBL9804088 0.82 LMNA (0.47) HRH3NPC1NPSR1MAPTLMNA
SCHEMBL9804036 0.76 MEN1 (0.47) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902856 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902871 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902857 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902858 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902850 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902870 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E
SCHEMBL16902859 0.76 TDP1 (0.73) HRH3NPC1RAB9ATDP1KDM4E

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-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed