SCHEMBL7399357

SCHEMBL7399357

CC1Cc2cc3c(cc2C(c2ccc(NC(=O)C(C)(C)C)cc2)=NN1)OCO3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
NFKB1 P19838 3/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
HIF1A Q16665 2/20 0.64
ALOX15 P16050 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
GRIA2 P42262 2/20 0.44
GRIA1 P42261 1/20 0.44
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL7399903 0.89 MAPT (0.68) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL7400196 0.85 MAPT (0.62) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL7392666 0.82 MEN1 (0.59) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL7396145 0.79 MEN1 (0.85) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL29389227 0.79 MEN1 (1.00) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL6995439 0.79 MEN1 (1.00) MAPTNFKB1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL10552818 0.78 MEN1 (0.98) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL7398362 0.78 MAPT (0.64) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL8796596 0.77 MEN1 (0.64) MAPTNFKB1LMNAMEN1KMT2A
SCHEMBL5416306 0.76 MAPT (0.71) MAPTNFKB1LMNAMEN1KMT2A

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
EP-0565557-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-10-20 EP disclosed
WO-1992011262-A1 1-(4-ACYLAMINOPHENYL)-7,8-METHYLENEDIOXY-5H-2,3-BENZO-DIAZEPINE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET K.V. (HU) 1992-07-09 WO disclosed