SCHEMBL11220322

SCHEMBL11220322

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.46
MAOB P27338 5/20 0.38
MAOA P21397 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3227313 0.73 NFE2L2 (0.42) MAOBMAOA
SCHEMBL29527566 0.72 VCP (0.55) VCPMAOBMAOANPC1RAB9A
SCHEMBL4065139 0.72 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL11127611 0.72 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL27793545 0.72 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL5674421 0.72 VCP (0.50) VCPMAOBMAOANPC1RAB9A
SCHEMBL154905 0.72 VCP (0.55) VCPMAOBMAOANPC1RAB9A
SCHEMBL38650704 0.71 VCP (0.58) VCPMAOBMAOANPC1RAB9A
SCHEMBL3225817 0.71 CYP2A6 (0.44) MAOBMAOANPC1RAB9ACYP2C19
SCHEMBL2660226 0.69 VCP (0.56) VCPMAOBMAOANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57158739-A None JP disclosed
EP-0061713-A1 Cyclopropanecarboxylic acid esters, their production and insecticidal and acaricidal compositions containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 EP disclosed
JP-S57158739-A CARBOXYLIC ESTER, ITS PREPARATION AND INSETICIDE AND ACARICIDE CONTAINING THE SAME AS ACTIVE CONSTITUTENT SUMITOMO CHEM CO LTD 1982-09-30 JP disclosed