SCHEMBL11565935

SCHEMBL11565935

CCOc1ccc(NC(=O)C2(C)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.48
SSTR5 P35346 1/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KDR P35968 3/20 0.46
BRAF P15056 1/20 0.46
RORC P51449 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BACE1 P56817 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.42
AXL P30530 1/20 0.41

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
SCHEMBL11565021 0.86 MET (0.49) METKDRBRAFBACE1FFAR1
SCHEMBL11439258 0.85 TDP1 (0.47) SSTR5RORCTDP1KMT2ALMNA
SCHEMBL11562798 0.84 RORC (0.67) SSTR5RORCTDP1KMT2AALDH1A1
SCHEMBL24799651 0.84 MET (0.46) METKCNQ3KCNQ2KDRRORC
SCHEMBL11563744 0.83 FFAR1 (0.43) METKDRBRAFBACE1FFAR1
SCHEMBL11049200 0.82 MEN1 (0.44) METKDRBRAFBACE1KMT2A
SCHEMBL11565621 0.82 KCNQ3 (0.47) METKCNQ3KCNQ2KDRBRAF
SCHEMBL11971474 0.80 TDP1 (0.68) KCNQ3KCNQ2RORCTDP1KMT2A
SCHEMBL19190174 0.78 BACE1 (0.50) BACE1KMT2AHPGDTSHR
SCHEMBL22566442 0.78 MET (0.49) METKCNQ3KCNQ2KDRRORC

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed