SCHEMBL8936631

SCHEMBL8936631

CCC(=O)N1C(=O)c2cc(C)ccc2Oc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9098233 0.79 TP53 (0.53) MEN1KMT2APOLBMAPTTHRB
SCHEMBL8936588 0.72 MAPT (0.50) MEN1KMT2APOLBMAPTLMNA
SCHEMBL18485389 0.69 CA9 (0.49) POLB
SCHEMBL9099840 0.68 MAPT (0.58) MEN1KMT2APOLBMAPTLMNA
SCHEMBL8936687 0.67 NR1H2 (0.44) MEN1KMT2APOLBMAPTLMNA
SCHEMBL24001033 0.67 MAPT (0.42) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9101978 0.65 MAPT (0.53) MEN1KMT2APOLBMAPTLMNA
SCHEMBL18613018 0.65 SMN1; SMN2 (0.55) MAPTLMNASMN1; SMN2GAA
SCHEMBL9853429 0.64 NR1H2 (0.47) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL8936669 0.63 TP53 (0.46) MEN1KMT2APOLBMAPTLMNA

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