SCHEMBL12205346

SCHEMBL12205346

COC(=O)C(N)C1(C[N+](=O)[O-])C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CBX7 O95931 2/20 0.39
CDYL Q9Y232 2/20 0.39
CDYL2 Q8N8U2 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
ELOVL6 Q9H5J4 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
ADCY8 P40145 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IP6K1 Q92551 1/20 0.34
MDM2 Q00987 1/20 0.34
SNRNP200 O75643 1/20 0.34
GHSR Q92847 1/20 0.34
ACHE P22303 1/20 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
SCHEMBL11959125 0.85 IDO1 (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2485622 0.75 IDO1 (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL16377143 0.74 IDO1 (0.62) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2485481 0.73 IDO1 (0.48) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL11959113 0.70 IDO1 (0.37) IDO1SMN1; SMN2BCHEKMT2A
SCHEMBL12205319 0.69 PGR (0.43) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL29276492 0.66 IDO1 (0.54) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2482415 0.65 PGR (0.41) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2480466 0.65 IDO1 (0.42) IDO1CBX7CDYLCDYL2CDY1; CDY1B
SCHEMBL2484408 0.65 IDO1 (0.43) IDO1CBX7CDYLCDYL2CDY1; CDY1B

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
EP-1891075-B1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS MERCK SERONO SA (CH) 2011-10-19 EP disclosed