SCHEMBL6198515

SCHEMBL6198515

[CH2]C#CCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL17039186 0.79 SMN1; SMN2 (0.48) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL19645659 0.78 HRH3 (0.44) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL27828226 0.78 SMN1; SMN2 (0.47) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL17036496 0.75 HRH3 (0.42) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL14127741 0.75 HRH3 (0.42) HRH1SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL8710864 0.74
SCHEMBL6545761 0.74
SCHEMBL4701110 0.74
SCHEMBL3218192 0.74
Water SCHEMBL9578432 0.74 MAPT (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed