SCHEMBL31207918

SCHEMBL31207918

C#Cc1ccccc1-c1cnc(C#N)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.38
▸ EIF4EBP1 Q13541 1/20 0.36
▸ BRS3 P32247 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GABRE P78334 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GABRG1 Q8N1C3 1/20 0.34
▸ GABRG3 Q99928 1/20 0.34
▸ GABRQ Q9UN88 1/20 0.34
▸ CHEK1 O14757 3/20 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
SCHEMBL31207938 0.90 BRS3 (0.37) EIF4EEIF4EBP1BRS3GABRPGABRD
SCHEMBL25308857 0.90 BRS3 (0.37) EIF4EEIF4EBP1BRS3GABRPGABRD
SCHEMBL31207933 0.78 NNMT (0.37) BRS3POLQ
SCHEMBL22717450 0.78 GPR35 (0.46) EIF4ECHEK1POLQ
SCHEMBL29574343 0.78 GPR35 (0.46) EIF4ECHEK1POLQ
SCHEMBL25307160 0.75 KDM4E (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31019034 0.73 KDM4C (0.44) SLC22A12
SCHEMBL25309052 0.73 KDM4C (0.44) SLC22A12
SCHEMBL25309450 0.73 ALDH1A1 (0.38) EIF4EGPBAR1
SCHEMBL25306780 0.73 POLQ (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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
CN-118974043-A Polq inhibitor compounds and uses thereof 南京再明医药有限公司 2024-11-15 — — CN disclosed
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