SCHEMBL8524985

SCHEMBL8524985

CC1(C)CCc2cc(C(=O)CCl)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
EPHX2 P34913 1/20 0.41
NEK2 P51955 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.38
F2 P00734 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMYD3 Q9H7B4 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
GRIN2B Q13224 1/20 0.37
RAF1 P04049 1/20 0.37
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6361200 0.86 ALDH1A1 (0.48) ALDH1A1MAPTEPHX2NEK2SMN1; SMN2
SCHEMBL1145012 0.79 ALDH1A1 (0.55) ALDH1A1MAPTEPHX2L3MBTL1SMYD3
SCHEMBL5467106 0.77 MAPT (0.52) ALDH1A1MAPTEPHX2SMYD3KDM4E
SCHEMBL6221019 0.76 EPHX2 (0.44) ALDH1A1MAPTEPHX2SMN1; SMN2USP2
SCHEMBL8524419 0.76 ALDH1A1 (0.49) ALDH1A1MAPTNEK2SMN1; SMN2USP2
SCHEMBL1545660 0.75 SIRT2 (0.58) ALDH1A1MAPTNEK2SMN1; SMN2SMYD3
SCHEMBL18114133 0.75 PDE3B (0.49) ALDH1A1MAPTEPHX2NEK2SMN1; SMN2
SCHEMBL27076351 0.75 ALDH1A1 (0.50) ALDH1A1MAPTEPHX2NEK2SMN1; SMN2
SCHEMBL1304506 0.75 EPHX2 (0.59) ALDH1A1MAPTEPHX2SMYD3GRIN2B
SCHEMBL9768375 0.74 BRD4 (0.56) ALDH1A1MAPT

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed