SCHEMBL3580855

SCHEMBL3580855

CC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 3/20 0.44
NR1H4 Q96RI1 3/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3576786 0.78 P2RX7 (0.50) P2RX7LMNAPOLBEPHX2NR1H4
SCHEMBL5176812 0.78 P2RX7 (0.57) P2RX7EPHX2NR1H4
SCHEMBL3580858 0.77 CA1 (0.48)
SCHEMBL3235987 0.77 BACE1 (0.60) LMNARAB9A
SCHEMBL5177106 0.75 LMNA (0.51) LMNAPOLBEPHX2NR1H4RAB9A
SCHEMBL5178473 0.75 P2RX7 (0.53) P2RX7LMNAEPHX2NR1H4RAB9A
SCHEMBL17240471 0.75 RAB9A (0.55) POLBRAB9A
SCHEMBL26790250 0.74 ADORA2A (0.49) P2RX7LMNAPOLBRAB9A
SCHEMBL3278159 0.74 LMNA (0.68) LMNAEPHX2NR1H4RAB9A
SCHEMBL4159641 0.74 KMT2A (0.69) LMNARAB9A

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