SCHEMBL8519867

SCHEMBL8519867

C=CC[N]Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.41
SUMO3 P55854 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL1043027 0.84 HRH1 (0.54) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL11581485 0.82 HRH1 (0.47) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL10630168 0.81 HRH1 (0.41) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL3626562 0.75 CYP1A2 (0.46) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL3132125 0.75 HRH3 (0.46) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL251828 0.74
SCHEMBL11787969 0.74
SCHEMBL31613157 0.74
SCHEMBL30043754 0.74
SCHEMBL21985094 0.73 HRH1 (0.52) HRH1SMN1; SMN2MAPTLIN28ATDP1

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-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US claimed