SCHEMBL10549574

SCHEMBL10549574

N#C[CH]c1ccc(F)c(Oc2ccc(Br)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
TBXA2R P21731 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL10549001 0.88 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL10545050 0.87 HTR2A (0.40) MAPTSLC6A4
SCHEMBL10547571 0.85 AR (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10545722 0.85 TUBB4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11036204 0.85 TTR (0.39) SLC6A4
SCHEMBL10549379 0.85 NFE2L2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL338710 0.85 TTR (0.41) NPSR1SLC6A4
SCHEMBL10549406 0.85 FNTA (0.35) MAPTNPSR1SLC6A4EPAS1MAOB
SCHEMBL10547257 0.82 CACNA1C (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9560716 0.80 TTR (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
EP-0044139-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND A LOW FISH TOXIC INSECTICIDE AND/OR ACARICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-26 EP disclosed
EP-0044139-A2 New cyclopropanecarboxylates, their production and a low fish toxic insecticide and/or acaricide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP disclosed