SCHEMBL3576320

SCHEMBL3576320

CC(C)(C)c1ccc(CNC(=O)Cc2ccnc(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3277789 0.82 CA1 (0.56) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5175288 0.81 ALDH1A1 (0.66)
Hydrochloric Acid SCHEMBL3950177 0.81 CA1 (0.54) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3942498 0.80 MEN1 (0.71) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3939260 0.80 MEN1 (0.56) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3947875 0.79 MEN1 (0.51) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3276784 0.79 MEN1 (0.54) MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL3944192 0.78 MEN1 (0.50) MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4158004 0.78 MEN1 (0.53) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3272732 0.77 P2RX7 (0.57) MEN1CYP1A2CYP2C19KMT2A

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed