SCHEMBL7919664

SCHEMBL7919664

CSc1ncc(C(=O)C(C)(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30
GABRQ Q9UN88 1/20 0.30
GAA P10253 1/20 0.30
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
SCHEMBL7842711 0.83 LMNA (0.41)
SCHEMBL10297731 0.81 HCAR2 (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL7905969 0.76 HDAC6 (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL13963784 0.76 NOS3 (0.47) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL25552270 0.72 AGBL2 (0.39)
SCHEMBL24198702 0.70 HDAC1 (0.34) HTTALDH1A1GABRPGABRDGABRA1
SCHEMBL3962436 0.69 CYP3A4 (0.34) ALDH1A1GAAKDM4EALOX15
SCHEMBL27181019 0.68 ACHE (0.36)
SCHEMBL21711156 0.68 NOS3 (0.48) KDM4E
SCHEMBL12444052 0.68 HCAR2 (0.43) HTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211202-B1 NONPHYTOTOXIC FUNGICIDES DOW AGROSCIENCES LLC 2001-04-03 US disclosed