SCHEMBL24914487

SCHEMBL24914487

C#CCN(C(=O)c1ccc(F)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 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.34
CTSS P25774 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
PTGES O14684 4/20 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
SCHEMBL24914496 0.94 POLQ (0.38) POLQCTSSHDAC8RXFP1KCNK3
SCHEMBL24914654 0.92 RXFP1 (0.38) POLQCTSSHDAC8RXFP1PTGES
SCHEMBL24914849 0.91 POLQ (0.34) POLQCTSSHDAC8KCNK3KCNK9
SCHEMBL24914865 0.90 P2RX7 (0.33) POLQCTSSPTGES
SCHEMBL20846767 0.90 CTSS (0.36) CTSSHDAC8CA12CA9KCNK3
SCHEMBL24914869 0.88 BRAF (0.32) POLQHDAC8PTGES
SCHEMBL31348935 0.86 CA12 (0.33) CTSSHDAC8RXFP1CA12CA9
SCHEMBL24914489 0.85 CTSS (0.37) CTSSRXFP1PTGES
SCHEMBL1766510 0.85 RXFP1 (0.35) CTSSHDAC8RXFP1CA12CA9
SCHEMBL29427441 0.85 RXFP1 (0.35) CTSSHDAC8RXFP1CA12CA9

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