SCHEMBL7278846

SCHEMBL7278846

CN1CC(=O)Nc2cscc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CRBN Q96SW2 3/20 0.44
DDB1 Q16531 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL5068051 0.74 MEN1 (0.62) MEN1KMT2ACRBNCYP11B1CYP11B2
SCHEMBL11025336 0.70 MEN1 (0.65) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL435141 0.70 MEN1 (0.70) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL14114321 0.69 MEN1 (0.68) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL14610310 0.69 MEN1 (0.68) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL29676340 0.69 KMT2A (0.68) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL2850811 0.69 MEN1 (0.68) MEN1KMT2A
SCHEMBL7138979 0.69 KMT2A (0.68) MEN1KMT2ACRBNDDB1CYP11B1
SCHEMBL7271469 0.69 KMT2A (1.00) MEN1KMT2ACRBNCYP11B1CYP11B2
SCHEMBL10961406 0.69 MEN1 (0.56) MEN1KMT2ACRBNCYP11B1CYP11B2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4363762-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-12-14 US disclosed
US-4359420-A HYPOTENSIVE AGENT, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1982-11-16 US disclosed
US-4346034-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346032-A ANTIDOTES TO OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346036-A ALKYLATION; AMIDATION; TRANQUILIZER ANTAGONIST HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346035-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346030-A ANTIDOTES FOR OVERDOSES OF BENZODIAZEPINE TRANQUILIZERS HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346031-A Process for preparing imidazodiazepines HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4346033-A Thienodiazepinone and benzodiazepinone intermediates HOFFMANN-LA ROCHE INC. (US) 1982-08-24 US disclosed
US-4316839-A Imidazodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0027214-A1 Imidazodiazepine derivatives, process and intermediates for their preparation, medicaments containing them and their therapeutic application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-04-22 EP disclosed