SCHEMBL26599152

SCHEMBL26599152

C#Cc1ccc(COc2nnc(N)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ SI P14410 3/20 0.43
▸ MGAM2 Q2M2H8 3/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.35
▸ LMNA P02545 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL26599304 0.85 CYP3A4 (0.52) MGAMGAASIMGAM2CYP3A4
SCHEMBL22717376 0.80 NPC1 (0.46) MGAMGAASIMGAM2RAB9A
SCHEMBL22717835 0.80 PTGS1 (0.50) MGAMGAASIMGAM2KDM4E
SCHEMBL22717405 0.80 ALDH1A1 (0.54) MGAMGAASIMGAM2KDM4E
SCHEMBL22717882 0.80 ALDH1A1 (0.54) MGAMGAASIMGAM2KDM4E
SCHEMBL10821887 0.79 GAA (0.60) MGAMGAASIMGAM2CYP3A4
SCHEMBL24500409 0.76 MGAM (0.40) MGAMGAASIMGAM2RAB9A
SCHEMBL22717603 0.75 MGAM (0.40) MGAMGAASIMGAM2CYP3A4
SCHEMBL22717606 0.73 MGAM (0.45) MGAMGAASIMGAM2RAB9A
SCHEMBL22717753 0.73 ALDH1A1 (0.41) MGAMGAASIMGAM2RAB9A

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 2 patents. 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
WO-2023202623-A1 POLQ INHIBITOR COMPOUND AND USE THEREOF 南京再明医药有限公司 2023-10-26 — — WO disclosed
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