SCHEMBL432702

SCHEMBL432702

CC[C](C)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GABRA1 P14867 6/20 0.50
GABRG2 P18507 6/20 0.50
GABRB3 P28472 6/20 0.50
ALDH1A1 P00352 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRB1 P18505 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP3A4 P08684 2/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL16953991 0.83 ALDH1A1 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL9593585 0.81 ALDH1A1 (0.51) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL432727 0.80 MAOB (0.41) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL9593484 0.78 THRB (0.46) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL8760668 0.78 MEN1 (0.63) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL1144066 0.78 ALDH1A1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL29712843 0.78 ALDH1A1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8091206 0.78 POLB (0.49) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL28282844 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL18484513 0.75 GABRA1 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3

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-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed