SCHEMBL9853439

SCHEMBL9853439

CSCN1C(=O)c2c(Cl)cccc2Oc2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 3/20 0.36
THRB P10828 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
SCHEMBL9853427 0.70 TP53 (0.48) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8936624 0.70 HDAC3 (0.40) TP53MAPTLMNASMN1; SMN2POLB
SCHEMBL8936630 0.66 TP53 (0.51) TP53MAPTLMNAKMT2APOLB
SCHEMBL8936730 0.65 TP53 (0.53) TP53MAPTKMT2APOLBTHRB
SCHEMBL9101435 0.64 TP53 (0.60) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8936648 0.63 TP53 (0.45) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8936654 0.63 TP53 (0.45) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL9212981 0.63 TP53 (0.58) TP53MAPTLMNASMN1; SMN2KMT2A
SCHEMBL8103304 0.62 KMT2A (0.36) KMT2A
SCHEMBL9853429 0.62 NR1H2 (0.47) TP53MAPTLMNASMN1; SMN2KMT2A

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-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