SCHEMBL11064052

SCHEMBL11064052

CC(S)CCCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
NAAA Q02083 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL24434533 0.84 HRH1 (0.53) HRH1NAAALOXL2HRH3HRH4
SCHEMBL19459487 0.82 HRH1 (0.57) HRH1NAAALOXL2HRH3HRH4
SCHEMBL726645 0.78 HRH1 (0.73) HRH1NAAALOXL2HRH3HRH4
SCHEMBL3169642 0.78 HRH1 (0.50) HRH1NAAALOXL2HRH3HRH4
SCHEMBL2841394 0.76 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL4413800 0.76 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL725306 0.76 HRH1 (0.77) HRH1NAAALOXL2HRH3HRH4
SCHEMBL14273406 0.76 HRH1 (0.53) HRH1NAAALOXL2HRH3HRH4
SCHEMBL10397794 0.74 HRH1 (0.52) HRH1NAAALOXL2HRH3HRH4
SCHEMBL9519950 0.74 HRH1 (0.52) HRH1NAAALOXL2HRH3HRH4

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-4482663-A Rubber compositions comprising a siliceous filler in combination with an organosulfur substituted pyridine promotor PHILLIPS PETROLEUM COMPANY (US) 1984-11-13 US disclosed