SCHEMBL4787690

SCHEMBL4787690

C[N+](C)(C)C[C@@H](CC(=O)OC(=O)C(F)(F)F)Nc1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.36
BRAF P15056 7/20 0.36
PRKD1 Q15139 1/20 0.31
SYK P43405 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL3681771 0.86 PRKD1 (0.41) PRKD1
Trifluoroacetic Acid SCHEMBL4787685 0.85 RAF1 (0.36) RAF1BRAFPRKD1TP53MAPT
Trifluoroacetic Acid SCHEMBL3681763 0.72 PRKD1 (0.42) PRKD1
Trifluoroacetic Acid SCHEMBL3681768 0.71 PRKD1 (0.41) PRKD1
SCHEMBL13409967 0.69 PRKD1 (0.43) PRKD1
SCHEMBL3690064 0.67 HDAC3 (0.39) MAPT
SCHEMBL8352356 0.66 PLK1 (0.42) MAPTCDK8
SCHEMBL13993995 0.63 KDM4E (0.35) RAF1BRAFTP53MAPTCDK8
SCHEMBL3679511 0.63 CTSG (0.42)
SCHEMBL3680889 0.62 ALDH1A1 (0.39) MAPT

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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed