SCHEMBL8936588

SCHEMBL8936588

CCN1C(=O)c2ccc(C)cc2Oc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9099840 0.85 MAPT (0.58) MAPTLMNASMN1; SMN2POLBMEN1
SCHEMBL9101435 0.77 TP53 (0.60) MAPTLMNASMN1; SMN2POLBMEN1
SCHEMBL8936623 0.77 SMN1; SMN2 (0.45) MAPTLMNASMN1; SMN2POLBTHRB
SCHEMBL8936654 0.72 TP53 (0.45) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL8936648 0.72 TP53 (0.45) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL8936631 0.72 MEN1 (0.47) MAPTLMNASMN1; SMN2POLBMEN1
SCHEMBL9101978 0.71 MAPT (0.53) MAPTLMNASMN1; SMN2POLBMEN1
SCHEMBL9853427 0.70 TP53 (0.48) MAPTLMNASMN1; SMN2POLBMEN1
SCHEMBL8936730 0.70 TP53 (0.53) MAPTPOLBMEN1KMT2ATHRB
SCHEMBL8936630 0.68 TP53 (0.51) MAPTLMNAPOLBMEN1KMT2A

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
US-5547951-A ENZYME INHIBITORS; AIDS BOEHRINGER INGELHEIM PHARAMCEUTICALS, INC. (US) 1996-08-20 US disclosed
EP-0417534-A1 Pyrido[2,3-b][1,4]benzoxazepin (and thiazepin)-6(5H)-ones and thiones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1991-03-20 EP disclosed