SCHEMBL24914656

SCHEMBL24914656

C#CCN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2ccc(C(P)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 5/20 0.38
AKR1C3 P42330 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
GRM4 Q14833 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.34
PTGES O14684 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
SCHEMBL24914657 0.92 POLQ (0.42) POLQKCNK3KCNK9KDM4ERXFP1
SCHEMBL30266722 0.84 POLQ (0.42) POLQKCNK3KCNK9KDM4ERXFP1
SCHEMBL24914496 0.82 POLQ (0.38) POLQKCNK3KCNK9RXFP1HDAC8
SCHEMBL24914949 0.82 POLQ (0.33) POLQSMN1; SMN2HDAC8HDAC1HDAC6
SCHEMBL24914497 0.80 POLQ (0.38) POLQKCNK3KCNK9RXFP1SMN1; SMN2
SCHEMBL24914947 0.79 KCNK3 (0.38) KCNK3KCNK9KDM4ERXFP1AKR1C3
SCHEMBL24914563 0.79 POLQ (0.31) POLQPTGES
SCHEMBL23227807 0.78 HDAC8 (0.38) KCNK3KCNK9KDM4ERXFP1AKR1C3
SCHEMBL29114032 0.78 HTT (0.40) KCNK3KCNK9KDM4ERXFP1AKR1C3
SCHEMBL29857236 0.78 HDAC8 (0.38) KCNK3KCNK9KDM4ERXFP1AKR1C3

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