SCHEMBL24914654

SCHEMBL24914654

C#CCN(C(=O)c1ccc(C#N)cc1)c1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
MLYCD O95822 1/20 0.33
POLQ O75417 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
VNN1 O95497 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PTGES O14684 2/20 0.32
CTSS P25774 1/20 0.31
AR P10275 1/20 0.31
TRPA1 O75762 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
LRRK2 Q5S007 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL24914487 0.92 POLQ (0.34) RXFP1POLQPTGESCTSSHDAC8
SCHEMBL24914496 0.92 POLQ (0.38) RXFP1POLQPTGESCTSSHDAC8
SCHEMBL24914869 0.89 BRAF (0.32) POLQPTGESHDAC8
SCHEMBL24914954 0.89 RXFP1 (0.37) RXFP1MLYCDTRPM8VNN1PTGES
SCHEMBL21701238 0.88 RXFP1 (0.37) RXFP1MLYCDVNN1HDAC8
SCHEMBL31348985 0.88 RXFP1 (0.41) RXFP1MLYCDTRPM8VNN1TRPV1
SCHEMBL1766651 0.87 RXFP1 (0.40) RXFP1MLYCDTRPM8VNN1TRPV1
SCHEMBL24914865 0.87 P2RX7 (0.33) POLQPTGESCTSS
SCHEMBL23641883 0.85 RXFP1 (0.38) RXFP1MLYCDPOLQVNN1TRPV1
SCHEMBL1766918 0.83 RXFP1 (0.39) RXFP1MLYCDTRPM8VNN1TRPV1

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-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed