SCHEMBL9839874

SCHEMBL9839874

[CH2]c1ccc(SC#N)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA2 P47869 1/20 0.38
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
USP5 P45974 1/20 0.32
USP4 Q13107 1/20 0.32
USP7 Q93009 1/20 0.32

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
SCHEMBL9839871 0.67
SCHEMBL13889296 0.66 CYP19A1 (0.51)
SCHEMBL27829862 0.66 ALDH1A1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4070135 0.65
SCHEMBL10975975 0.64 L3MBTL1 (0.50)
SCHEMBL13889297 0.64 CYP19A1 (0.56)
SCHEMBL9618922 0.64
SCHEMBL28579996 0.61 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL10988973 0.60 HPGD (0.55)
SCHEMBL1515085 0.59

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-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 EP disclosed