SCHEMBL11565135

SCHEMBL11565135

CC(C)(C)Nc1ccc(NC(=O)C2(C)CC2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.38
BACE1 P56817 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 1/20 0.34
NPY2R P49146 1/20 0.34

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
SCHEMBL11565472 0.85 CNR1 (0.43) CETPBACE1CNR1CNR2MEN1
SCHEMBL11560516 0.82 LMNA (0.44) CETPBACE1CNR1CNR2MAPT
SCHEMBL11558200 0.81 CETP (0.41) CETPBACE1CNR1CNR2NPC1
SCHEMBL11565436 0.77 HDAC1 (0.39) CETPBACE1CNR1CNR2NPC1
SCHEMBL11557830 0.75 BACE1 (0.39) CETPBACE1CNR1CNR2MEN1
SCHEMBL11428100 0.75 KHK (0.40) CETPBACE1CNR1CNR2NPC1
SCHEMBL11442010 0.73 KMT2A (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11564649 0.72 RORC (0.46) BACE1NPC1RAB9AMEN1KMT2A
SCHEMBL11563048 0.72 ALDH1A3 (0.43) BACE1CNR1CNR2NPC1RAB9A
SCHEMBL11050893 0.71 SMN1; SMN2 (0.42) BACE1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168153-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-18 US disclosed