SCHEMBL3576786

SCHEMBL3576786

CC(C)(C)c1ccc(CNC(=O)Cc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 3/20 0.46
NR1H4 Q96RI1 3/20 0.46

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
SCHEMBL5176812 0.83 P2RX7 (0.57) P2RX7EPHX2NR1H4
SCHEMBL3580855 0.78 P2RX7 (0.46) P2RX7LMNAPOLBEPHX2NR1H4
SCHEMBL2133620 0.78 LMNA (0.52) LMNAALDH1A1EPHX2NR1H4
SCHEMBL3202382 0.78 LMNA (0.53) LMNA
SCHEMBL3235987 0.76 BACE1 (0.60) LMNAALDH1A1
SCHEMBL5175983 0.76
SCHEMBL3576790 0.75 CA1 (0.47) LMNAEPHX2NR1H4
SCHEMBL3245317 0.75 BACE1 (0.52) LMNA
SCHEMBL5177106 0.74 LMNA (0.51) LMNAPOLBEPHX2NR1H4
SCHEMBL3273904 0.74 LMNA (0.70) LMNAALDH1A1EPHX2NR1H4

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