SCHEMBL12820088

SCHEMBL12820088

CCc1ccc(F)cc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
MAPT P10636 6/20 0.42
LTA4H P09960 1/20 0.41
TNFRSF1A P19438 1/20 0.39
PTGER2 P43116 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MIF P14174 1/20 0.37

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
SCHEMBL18677242 0.83 LTA4H (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12304075 0.83 MAPT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5325398 0.81 MAOA (0.49) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL5539652 0.78 LTA4H (0.53) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL27965042 0.78 MAPT (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27968468 0.78 MAPT (0.41) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL6205484 0.77 TNFRSF1A (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5023959 0.77 LTA4H (0.66) MAPTLTA4HALDH1A1MEN1KMT2A
SCHEMBL10185913 0.75 GRIN2B (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12819987 0.74 CYP11B1 (0.39)

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
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed