SCHEMBL7149128

SCHEMBL7149128

CCOC(=O)c1ncn(Cc2ccc3c(c2)N(COC)c2nccnc2S3)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCD O00767 1/20 0.33
RECQL P46063 1/20 0.33
MAPK10 P53779 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA6 Q16445 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33

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
SCHEMBL6745707 0.90 HDAC6 (0.39) HDAC6GAASCDHDAC3HDAC1
SCHEMBL6749663 0.89 HDAC6 (0.39) HDAC6SCDHDAC3HDAC1ICAM1
SCHEMBL7144509 0.86 HDAC6 (0.35) HDAC6SCDHDAC3HDAC1ICAM1
SCHEMBL6745905 0.83 HDAC6 (0.37) HDAC6
SCHEMBL7144505 0.83 HDAC6 (0.35) HDAC6SMN1; SMN2HDAC3HDAC1
SCHEMBL6750372 0.81 HDAC6 (0.36) HDAC6ICAM1
SCHEMBL6745496 0.81 HDAC6 (0.41) HDAC6LMNAGAAMEN1PABPC1
SCHEMBL6745429 0.81 HDAC6 (0.39) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6745421 0.80 HDAC6 (0.39) HDAC6HDAC3HDAC1ICAM1
SCHEMBL6750191 0.80 HDAC6 (0.36) HDAC6ICAM1

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed