SCHEMBL8696406

SCHEMBL8696406

CCCCC1(O)c2cc(Cl)ccc2NC(=O)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
CBX7 O95931 2/20 0.46
CDYL Q9Y232 2/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 4/20 0.41
PGR P06401 4/20 0.40
AKR1B1 P15121 3/20 0.38
CYP46A1 Q9Y6A2 1/20 0.37
MGAM O43451 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAOB P27338 1/20 0.36
ADCY8 P40145 1/20 0.35

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
SCHEMBL7473551 0.82 CBX7 (0.42) CBX7CDYLHTR7PGRAKR1B1
SCHEMBL7473975 0.74 IDO1 (0.48) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL1722012 0.70 PGR (0.69) IDO1MEN1KMT2APGRAKR1B1
SCHEMBL28336703 0.68 AKR1A1 (0.39) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2984831 0.68 HTR7 (0.61) IDO1HTR7PGRHTR1AHTR2A
SCHEMBL1152137 0.68 IDO1 (0.36) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL28837811 0.68 NQO2 (0.47) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL11483433 0.67 IDO1 (0.52) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL28118909 0.67 NQO2 (0.46) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL9539898 0.67 PDE7A (0.47) IDO1MEN1KMT2AHTR7AKR1B1

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-5798365-A VIRICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-25 US disclosed