SCHEMBL9521057

SCHEMBL9521057

Cc1cc(=O)n(-c2cc(C(=O)OCC3CC3)c(Cl)cc2F)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HTR4 Q13639 3/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
HTR2C P28335 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1D P28221 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR2B P41595 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL9520570 0.88 GAA (0.37) GAAHTR4BAZ2BBAZ2AGABRA1
SCHEMBL9521362 0.86 HTR7 (0.40) GAASMN1; SMN2LMNAMAPTTP53
SCHEMBL9523079 0.84 MEN1 (0.33) GAABAZ2BBAZ2AHPGDSMN1; SMN2
SCHEMBL9521255 0.84 HPGD (0.37) HPGDSMN1; SMN2MAPTPPOXHTR3E
SCHEMBL22745804 0.83 MAPT (0.36) GAABAZ2BBAZ2AGABRA1GABRG2
SCHEMBL9522986 0.83 MAPT (0.38) HPGDSMN1; SMN2MAPTPPOXTP53
SCHEMBL9521382 0.83 MAPT (0.38) HPGDSMN1; SMN2MAPTPPOXTP53
SCHEMBL9519865 0.82 PPOX (0.35) GAABAZ2BBAZ2AHPGDSMN1; SMN2
SCHEMBL9523489 0.81 L3MBTL1 (0.40) BAZ2BBAZ2ALMNAMAPTCYP1A2
SCHEMBL9468954 0.80 MAPT (0.35) BAZ2BBAZ2AHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed